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88879-72-5 | 1H-2,3-Benzodiazepine, 6,7,8,9-tetrahydro-4-phenyl-
CAS No: 88879-72-5 Catalog No: AG0049Y0 MDL No:
Product Description
Catalog Number:
AG0049Y0
Chemical Name:
1H-2,3-Benzodiazepine, 6,7,8,9-tetrahydro-4-phenyl-
CAS Number:
88879-72-5
Molecular Formula:
C15H16N2
Molecular Weight:
224.3009
IUPAC Name:
4-phenyl-6,7,8,9-tetrahydro-1H-2,3-benzodiazepine
InChI:
InChI=1S/C15H16N2/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-17-15/h1-3,6-7,10H,4-5,8-9,11H2
InChI Key:
DRHUWTYDWUDVME-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=CC2=C(CN=N1)CCCC2
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.307g/mol
Monoisotopic Mass:
224.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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