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187970-95-2 | Benzoic acid, 2-[6-(bromomethyl)-2-quinolinyl]-
CAS No: 187970-95-2 Catalog No: AG002GM0 MDL No:
Product Description
Catalog Number:
AG002GM0
Chemical Name:
Benzoic acid, 2-[6-(bromomethyl)-2-quinolinyl]-
CAS Number:
187970-95-2
Molecular Formula:
C17H12BrNO2
Molecular Weight:
342.1867
IUPAC Name:
2-[6-(bromomethyl)quinolin-2-yl]benzoic acid
InChI:
InChI=1S/C17H12BrNO2/c18-10-11-5-7-15-12(9-11)6-8-16(19-15)13-3-1-2-4-14(13)17(20)21/h1-9H,10H2,(H,20,21)
InChI Key:
LGNLSQQYBFDGPT-UHFFFAOYSA-N
SMILES:
BrCc1ccc2c(c1)ccc(n2)c1ccccc1C(=O)O
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.005g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.192g/mol
Monoisotopic Mass:
341.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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