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Home > Bromides > 1150618-07-7
1150618-07-7 | 2-Pyridinecarboxylic acid, 3-bromo-4-methyl-5-nitro-, methyl ester
CAS No: 1150618-07-7 Catalog No: AG000FUE MDL No:MFCD12031253
Product Description
Catalog Number:
AG000FUE
Chemical Name:
2-Pyridinecarboxylic acid, 3-bromo-4-methyl-5-nitro-, methyl ester
CAS Number:
1150618-07-7
Molecular Formula:
C8H7BrN2O4
Molecular Weight:
275.0562
MDL Number:
MFCD12031253
IUPAC Name:
methyl 3-bromo-4-methyl-5-nitropyridine-2-carboxylate
InChI:
InChI=1S/C8H7BrN2O4/c1-4-5(11(13)14)3-10-7(6(4)9)8(12)15-2/h3H,1-2H3
InChI Key:
WDQAQQWKIJKMSZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(c(c1Br)C)[N+](=O)[O-]
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.959g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.058g/mol
Monoisotopic Mass:
273.959g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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