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200811-67-2 | 5H-Pyrido[2,3-d]azepine, 2-chloro-6,7,8,9-tetrahydro-7-(phenylmethyl)-
CAS No: 200811-67-2 Catalog No: AG002D1J MDL No:
Product Description
Catalog Number:
AG002D1J
Chemical Name:
5H-Pyrido[2,3-d]azepine, 2-chloro-6,7,8,9-tetrahydro-7-(phenylmethyl)-
CAS Number:
200811-67-2
Molecular Formula:
C16H17ClN2
Molecular Weight:
272.7726
IUPAC Name:
7-benzyl-2-chloro-5,6,8,9-tetrahydropyrido[2,3-d]azepine
InChI:
InChI=1S/C16H17ClN2/c17-16-7-6-14-8-10-19(11-9-15(14)18-16)12-13-4-2-1-3-5-13/h1-7H,8-12H2
InChI Key:
NRFXDPYHBNTJJE-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(n1)CCN(CC2)Cc1ccccc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.108g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.776g/mol
Monoisotopic Mass:
272.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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