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1000576-67-9 | 1,6-Naphthyridine, 3-bromo-5,6,7,8-tetrahydro-6-(phenylmethyl)-
CAS No: 1000576-67-9 Catalog No: AG0000QY MDL No:MFCD09878580
Product Description
Catalog Number:
AG0000QY
Chemical Name:
1,6-Naphthyridine, 3-bromo-5,6,7,8-tetrahydro-6-(phenylmethyl)-
CAS Number:
1000576-67-9
Molecular Formula:
C15H15BrN2
Molecular Weight:
303.1970
MDL Number:
MFCD09878580
IUPAC Name:
6-benzyl-3-bromo-7,8-dihydro-5H-1,6-naphthyridine
InChI:
InChI=1S/C15H15BrN2/c16-14-8-13-11-18(7-6-15(13)17-9-14)10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11H2
InChI Key:
QCYFMEVUDPJISR-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)CN(CC2)Cc1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.042g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.203g/mol
Monoisotopic Mass:
302.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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