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88820-30-8 | 1H-1,3-Benzodiazepine, 2-methyl-
CAS No: 88820-30-8 Catalog No: AG004AQB MDL No:
Product Description
Catalog Number:
AG004AQB
Chemical Name:
1H-1,3-Benzodiazepine, 2-methyl-
CAS Number:
88820-30-8
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
IUPAC Name:
2-methyl-1H-1,3-benzodiazepine
InChI:
InChI=1S/C10H10N2/c1-8-11-7-6-9-4-2-3-5-10(9)12-8/h2-7H,1H3,(H,11,12)
InChI Key:
AZXQNBVVQXYLDU-UHFFFAOYSA-N
SMILES:
CC1=NC=Cc2c(N1)cccc2
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.204g/mol
Monoisotopic Mass:
158.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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