200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 87958-25-6
87958-25-6 | 1H-1,2-Diazepine, 1-benzoyl-4,5-dihydro-
CAS No: 87958-25-6 Catalog No: AG004G9O MDL No:
Product Description
Catalog Number:
AG004G9O
Chemical Name:
1H-1,2-Diazepine, 1-benzoyl-4,5-dihydro-
CAS Number:
87958-25-6
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
IUPAC Name:
4,5-dihydrodiazepin-1-yl(phenyl)methanone
InChI:
InChI=1S/C12H12N2O/c15-12(11-7-3-1-4-8-11)14-10-6-2-5-9-13-14/h1,3-4,6-10H,2,5H2
InChI Key:
DGGMZSFGCHCOAS-UHFFFAOYSA-N
SMILES:
O=C(N1C=CCCC=N1)c1ccccc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
© 2019 Angene International Limited. All rights Reserved.