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Home > Bromides > 1186194-46-6
1186194-46-6 | 5-Bromo-6-methoxynicotinic acid
CAS No: 1186194-46-6 Catalog No: AG003A6J MDL No:MFCD11226508
Product Description
Catalog Number:
AG003A6J
Chemical Name:
5-Bromo-6-methoxynicotinic acid
CAS Number:
1186194-46-6
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
MDL Number:
MFCD11226508
IUPAC Name:
5-bromo-6-methoxypyridine-3-carboxylic acid
InChI:
InChI=1S/C7H6BrNO3/c1-12-6-5(8)2-4(3-9-6)7(10)11/h2-3H,1H3,(H,10,11)
InChI Key:
DYSLRNROALTKNA-UHFFFAOYSA-N
SMILES:
COc1ncc(cc1Br)C(=O)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.953g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.033g/mol
Monoisotopic Mass:
230.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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