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81078-32-2 | 3H-2-Benzazepine, 5-bromo-8-chloro-1-phenyl-, hydrochloride
CAS No: 81078-32-2 Catalog No: AG005019 MDL No:
Product Description
Catalog Number:
AG005019
Chemical Name:
3H-2-Benzazepine, 5-bromo-8-chloro-1-phenyl-, hydrochloride
CAS Number:
81078-32-2
Molecular Formula:
C16H12BrCl2N
Molecular Weight:
369.0832
IUPAC Name:
5-bromo-8-chloro-1-phenyl-3H-2-benzazepine;hydrochloride
InChI:
InChI=1S/C16H11BrClN.ClH/c17-15-8-9-19-16(11-4-2-1-3-5-11)14-10-12(18)6-7-13(14)15;/h1-8,10H,9H2;1H
InChI Key:
ZSTQDXRDUODDGA-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=NCC=C2Br)c1ccccc1.Cl
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.953g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.083g/mol
Monoisotopic Mass:
366.953g/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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