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Home > Pyridines > 1803599-05-4
1803599-05-4 | 5H,6H,7H,8H,9H-pyrido[2,3-d]azepine-2-carbonitrile hydrochloride
CAS No: 1803599-05-4 Catalog No: AG01B14U MDL No:MFCD27959470
Product Description
Catalog Number:
AG01B14U
Chemical Name:
5H,6H,7H,8H,9H-pyrido[2,3-d]azepine-2-carbonitrile hydrochloride
CAS Number:
1803599-05-4
Molecular Formula:
C10H12ClN3
Molecular Weight:
209.6754
MDL Number:
MFCD27959470
IUPAC Name:
6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine-2-carbonitrile;hydrochloride
InChI:
InChI=1S/C10H11N3.ClH/c11-7-9-2-1-8-3-5-12-6-4-10(8)13-9;/h1-2,12H,3-6H2;1H
InChI Key:
PEIMZHAHTXCVEW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(n1)CCNCC2.Cl
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.677g/mol
Monoisotopic Mass:
209.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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