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1379350-34-1 | 1H-1-Benzazepine, 9-chloro-2,3,4,5-tetrahydro-, hydrochloride (1:1)
CAS No: 1379350-34-1 Catalog No: AG0017OM MDL No:
Product Description
Catalog Number:
AG0017OM
Chemical Name:
1H-1-Benzazepine, 9-chloro-2,3,4,5-tetrahydro-, hydrochloride (1:1)
CAS Number:
1379350-34-1
Molecular Formula:
C10H13Cl2N
Molecular Weight:
218.1229
IUPAC Name:
9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
InChI:
InChI=1S/C10H12ClN.ClH/c11-9-6-3-5-8-4-1-2-7-12-10(8)9;/h3,5-6,12H,1-2,4,7H2;1H
InChI Key:
GXQTWXZUGQQCID-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1NCCCC2.Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.121g/mol
Monoisotopic Mass:
217.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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