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129178-92-3 | 2H-1,4-Benzodiazepin-2-one, 7-bromo-5-(2-chlorophenyl)-1,3-dihydro-1,3-dimethyl-
CAS No: 129178-92-3 Catalog No: AG000YXD MDL No:
Product Description
Catalog Number:
AG000YXD
Chemical Name:
2H-1,4-Benzodiazepin-2-one, 7-bromo-5-(2-chlorophenyl)-1,3-dihydro-1,3-dimethyl-
CAS Number:
129178-92-3
Molecular Formula:
C17H14BrClN2O
Molecular Weight:
377.6629
IUPAC Name:
7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-3H-1,4-benzodiazepin-2-one
InChI:
InChI=1S/C17H14BrClN2O/c1-10-17(22)21(2)15-8-7-11(18)9-13(15)16(20-10)12-5-3-4-6-14(12)19/h3-10H,1-2H3
InChI Key:
IFBWQIMNVMDGCK-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=NC(C(=O)N2C)C)c1ccccc1Cl
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.998g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.666g/mol
Monoisotopic Mass:
375.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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