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Substance Name: 7-Bromo-5-phenyl-1,2-dihydro-2H-1,4-benzodiazepin-2-one
RN: 2894-61-3
UNII: B5O0SGUU77
InChIKey: ATCCWKYKHCKDGT-UHFFFAOYSA-N

Molecular Formula

  • C15-H11-Br-N2-O

Molecular Weight

  • 315.1689
 
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Names and Synonyms

Name of Substance

  • 7-Bromo-5-phenyl-1,2-dihydro-2H-1,4-benzodiazepin-2-one

Synonyms

  • 7-Bpdbd
  • UNII-B5O0SGUU77

Systematic Name

  • 2H-1,4-Benzodiazepin-2-one, 7-bromo-1,3-dihydro-5-phenyl-

Registry Numbers

CAS Registry Number

  • 2894-61-3

FDA UNII

  • B5O0SGUU77

System Generated Number

  • 0002894613

Structure Descriptors

InChI

1S/C15H11BrN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)

InChIKey

ATCCWKYKHCKDGT-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2=NCC(=O)Nc3c2cc(cc3)Br

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.11 (none)   EXP
Water Solubility 22.1 mg/L 25 EST
Vapor Pressure 2.78E-09 mm Hg 25 EST
Henry's Law Constant 9.56E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.27E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.