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20927-57-5 | 1H-1,5-Benzodiazepine, 2,3-dihydro-4-phenyl-
CAS No: 20927-57-5 Catalog No: AG002K5K MDL No:MFCD06245350
Product Description
Catalog Number:
AG002K5K
Chemical Name:
1H-1,5-Benzodiazepine, 2,3-dihydro-4-phenyl-
CAS Number:
20927-57-5
Molecular Formula:
C15H14N2
Molecular Weight:
222.2851
MDL Number:
MFCD06245350
IUPAC Name:
4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
InChI:
InChI=1S/C15H14N2/c1-2-6-12(7-3-1)13-10-11-16-14-8-4-5-9-15(14)17-13/h1-9,16H,10-11H2
InChI Key:
UWSMNBPALLFTAQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=Nc2ccccc2NCC1
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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