1-(2-Bromoethyl)-3-(4-methylphenyl)-1-nitrosourea

HCID 267342

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Basic information

CAS: 15145-45-6
Standard SMILES: Cc1ccc(NC(=O)N(CCBr)N=O)cc1
InChIKey: IOLOEJLZQNWNBE-UHFFFAOYSA-N
Molecular formula: C10H12BrN3O2
Average molar mass: 286.13 g/mol
Monoisotopic mass: 285.01129

Names & identifiers

Preferred name: 1-(2-Bromoethyl)-3-(4-methylphenyl)-1-nitrosourea
IUPAC: 1-(2-bromoethyl)-3-(4-methylphenyl)-1-nitrosourea

Names & synonyms

15145-45-61-(2-bromoethyl)-3-(4-methylphenyl)-1-nitrosoureaNSC106530Urea, 1-(2-bromoethyl)-1-nitroso-3-p-tolyl-DTXSID40295958NSC-106530N-(2-Bromoethyl)-N'-(4-methylphenyl)-N-nitrosourea

Database identifiers

CAS: 15145-45-6
PubChem CID: 267342
DTXSID: DTXSID40295958

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 61.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 242

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