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Home > Bromides > 1237962-71-8
1237962-71-8 | 2-Bromo-4-phenyl-nicotinic acid ethyl ester
CAS No: 1237962-71-8 Catalog No: AG01FAVJ MDL No:
Product Description
Catalog Number:
AG01FAVJ
Chemical Name:
2-Bromo-4-phenyl-nicotinic acid ethyl ester
CAS Number:
1237962-71-8
Molecular Formula:
C14H12BrNO2
Molecular Weight:
306.1546
IUPAC Name:
ethyl 2-bromo-4-phenylpyridine-3-carboxylate
InChI:
InChI=1S/C14H12BrNO2/c1-2-18-14(17)12-11(8-9-16-13(12)15)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChI Key:
BDRRHIOEEONVPQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Br)nccc1c1ccccc1
Properties
Complexity:
279
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:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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