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2898-20-6 | 1H-1,4-Benzodiazepine, 2,3-dihydro-5-phenyl-
CAS No: 2898-20-6 Catalog No: AG002V30 MDL No:
Product Description
Catalog Number:
AG002V30
Chemical Name:
1H-1,4-Benzodiazepine, 2,3-dihydro-5-phenyl-
CAS Number:
2898-20-6
Molecular Formula:
C15H14N2
Molecular Weight:
222.2851
IUPAC Name:
5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine
InChI:
InChI=1S/C15H14N2/c1-2-6-12(7-3-1)15-13-8-4-5-9-14(13)16-10-11-17-15/h1-9,16H,10-11H2
InChI Key:
MDPJHNGFYGSHME-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=NCCNc2c1cccc2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.291g/mol
Monoisotopic Mass:
222.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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