61828 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 35 17 8 8 7 7 6 6 6 6 6 1 1 1 1 1 1 1 2 3 4 5 5 6 6 7 7 7 9 9 9 10 10 10 5 6 8 11 7 11 8 11 8 9 10 12 13 14 15 16 17 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 3.7601 4.8479 2.6723 5.5202 3.7601 4.2601 2.9511 3.2601 2.3633 2 4.5691 2.8649 1.9988 1.8617 1.8084 1.4103 2.1916 1.6739 -1.6739 -1.6739 0.3952 0.6739 -0.8649 0.0861 -0.8649 0.8952 -0.2229 0.0861 1.2596 1.3968 0.5307 0.3668 -0.4145 -0.8125 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 231 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180633000041000000000000000000000000160000000000000000000000000000000001E00003000000C888180000300020000000800011010000000000000000000018000008040000000201400000805220000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-bromo-3-chloro-5,5-dimethyl-imidazolidine-2,4-dione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-bromanyl-3-chloranyl-5,5-dimethyl-imidazolidine-2,4-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-bromo-3-chloro-5,5-dimethyl-hydantoin InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C5H6BrClN2O2/c1-5(2)3(10)8(7)4(11)9(5)6/h1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PIEXCQIOSMOEOU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 239.93012 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C5H6BrClN2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 241.47 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C(=O)N(C(=O)N1Br)Cl)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C(=O)N(C(=O)N1Br)Cl)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 40.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 239.93012 11 0 0 0 0 0 0 0 1 -1