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264-63-1 | 2H-1,4-Benzodiazepine
CAS No: 264-63-1 Catalog No: AG002T27 MDL No:
Product Description
Catalog Number:
AG002T27
Chemical Name:
2H-1,4-Benzodiazepine
CAS Number:
264-63-1
Molecular Formula:
C9H8N2
Molecular Weight:
144.1732
IUPAC Name:
2H-1,4-benzodiazepine
InChI:
InChI=1S/C9H8N2/c1-2-4-9-8(3-1)7-10-5-6-11-9/h1-5,7H,6H2
InChI Key:
UQZIVIVFXNMLLC-UHFFFAOYSA-N
SMILES:
C1=NC=c2c(=NC1)cccc2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.177g/mol
Monoisotopic Mass:
144.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| 2,2,4-Trimethyl-7-nitro-2,3-dihydro-1H-1,5-benzodiazepin-5-ium perchlorate. | Acta crystallographica. Section E, Structure reports online 20100701 |
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