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93383-21-2 | 1H-3-Benzazepine-7,8-diol, 9-chloro-2,3,4,5-tetrahydro-1-phenyl-
CAS No: 93383-21-2 Catalog No: AG006G74 MDL No:
Product Description
Catalog Number:
AG006G74
Chemical Name:
1H-3-Benzazepine-7,8-diol, 9-chloro-2,3,4,5-tetrahydro-1-phenyl-
CAS Number:
93383-21-2
Molecular Formula:
C16H16ClNO2
Molecular Weight:
289.7567
IUPAC Name:
6-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
InChI:
InChI=1S/C16H16ClNO2/c17-15-14-11(8-13(19)16(15)20)6-7-18-9-12(14)10-4-2-1-3-5-10/h1-5,8,12,18-20H,6-7,9H2
InChI Key:
QOMDBAQCMQTGEH-UHFFFAOYSA-N
SMILES:
Oc1cc2CCNCC(c2c(c1O)Cl)c1ccccc1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
289.759g/mol
Monoisotopic Mass:
289.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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