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1201785-17-2 | 1,6-Naphthyridine, 5-chloro-1,2,3,4-tetrahydro-1-(phenylmethyl)-
CAS No: 1201785-17-2 Catalog No: AG000QHL MDL No:
Product Description
Catalog Number:
AG000QHL
Chemical Name:
1,6-Naphthyridine, 5-chloro-1,2,3,4-tetrahydro-1-(phenylmethyl)-
CAS Number:
1201785-17-2
Molecular Formula:
C15H15ClN2
Molecular Weight:
258.7460
IUPAC Name:
1-benzyl-5-chloro-3,4-dihydro-2H-1,6-naphthyridine
InChI:
InChI=1S/C15H15ClN2/c16-15-13-7-4-10-18(14(13)8-9-17-15)11-12-5-2-1-3-6-12/h1-3,5-6,8-9H,4,7,10-11H2
InChI Key:
QZMXMKGMWYHVBR-UHFFFAOYSA-N
SMILES:
Clc1nccc2c1CCCN2Cc1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.092g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.749g/mol
Monoisotopic Mass:
258.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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