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Home > Bromides > 1020718-65-3
1020718-65-3 | Benzoic acid, 3-(6-bromo-2-pyridinyl)-4-methyl-, methyl ester
CAS No: 1020718-65-3 Catalog No: AG0006J1 MDL No:
Product Description
Catalog Number:
AG0006J1
Chemical Name:
Benzoic acid, 3-(6-bromo-2-pyridinyl)-4-methyl-, methyl ester
CAS Number:
1020718-65-3
Molecular Formula:
C14H12BrNO2
Molecular Weight:
306.1546
IUPAC Name:
methyl 3-(6-bromopyridin-2-yl)-4-methylbenzoate
InChI:
InChI=1S/C14H12BrNO2/c1-9-6-7-10(14(17)18-2)8-11(9)12-4-3-5-13(15)16-12/h3-8H,1-2H3
InChI Key:
DTVGYJVWVQGTLQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)c1cccc(n1)Br)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.005g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.159g/mol
Monoisotopic Mass:
305.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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