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87958-24-5 | 1H-1,2-Diazepine, 1-benzoyl-4,5,6,7-tetrahydro-
CAS No: 87958-24-5 Catalog No: AG004G9P MDL No:
Product Description
Catalog Number:
AG004G9P
Chemical Name:
1H-1,2-Diazepine, 1-benzoyl-4,5,6,7-tetrahydro-
CAS Number:
87958-24-5
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
phenyl(3,4,5,6-tetrahydrodiazepin-2-yl)methanone
InChI:
InChI=1S/C12H14N2O/c15-12(11-7-3-1-4-8-11)14-10-6-2-5-9-13-14/h1,3-4,7-9H,2,5-6,10H2
InChI Key:
CLMOTPBNWLTVGQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)N1CCCCC=N1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/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
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