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81230-25-3 | 3H-2-Benzazepine, 8-chloro-1-phenyl-, hydrochloride
CAS No: 81230-25-3 Catalog No: AG004Z57 MDL No:
Product Description
Catalog Number:
AG004Z57
Chemical Name:
3H-2-Benzazepine, 8-chloro-1-phenyl-, hydrochloride
CAS Number:
81230-25-3
Molecular Formula:
C16H13Cl2N
Molecular Weight:
290.1871
IUPAC Name:
8-chloro-1-phenyl-3H-2-benzazepine;hydrochloride
InChI:
InChI=1S/C16H12ClN.ClH/c17-14-9-8-12-7-4-10-18-16(15(12)11-14)13-5-2-1-3-6-13;/h1-9,11H,10H2;1H
InChI Key:
DKTIEKJEPYAWCB-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=NCC=C2)c1ccccc1.Cl
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.043g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.187g/mol
Monoisotopic Mass:
289.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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