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1003591-00-1 | 5H-Pyrido[2,3-d]azepine, 2-chloro-6,7,8,9-tetrahydro-, hydrochloride (1:2)
CAS No: 1003591-00-1 Catalog No: AG0001OW MDL No:
Product Description
Catalog Number:
AG0001OW
Chemical Name:
5H-Pyrido[2,3-d]azepine, 2-chloro-6,7,8,9-tetrahydro-, hydrochloride (1:2)
CAS Number:
1003591-00-1
Molecular Formula:
C9H13Cl3N2
Molecular Weight:
255.5719
IUPAC Name:
2-chloro-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine;hydrochloride
InChI:
InChI=1S/C9H11ClN2.ClH/c10-9-2-1-7-3-5-11-6-4-8(7)12-9;/h1-2,11H,3-6H2;1H
InChI Key:
CAABAQMQHPHNRI-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(n1)CCNCC2.Cl.Cl
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.109g/mol
Monoisotopic Mass:
218.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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