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81230-26-4 | 3H-2-Benzazepine, 8-chloro-1-(2-fluorophenyl)-, hydrochloride
CAS No: 81230-26-4 Catalog No: AG005F3F MDL No:
Product Description
Catalog Number:
AG005F3F
Chemical Name:
3H-2-Benzazepine, 8-chloro-1-(2-fluorophenyl)-, hydrochloride
CAS Number:
81230-26-4
Molecular Formula:
C16H12Cl2FN
Molecular Weight:
308.1776
IUPAC Name:
8-chloro-1-(2-fluorophenyl)-3H-2-benzazepine;hydrochloride
InChI:
InChI=1S/C16H11ClFN.ClH/c17-12-8-7-11-4-3-9-19-16(14(11)10-12)13-5-1-2-6-15(13)18;/h1-8,10H,9H2;1H
InChI Key:
VZOCOAINNNOZIA-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=NCC=C2)c1ccccc1F.Cl
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.033g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.177g/mol
Monoisotopic Mass:
307.033g/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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