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13959-02-9 | 4-Pyridinecarboxylic acid, 3-bromo-
CAS No: 13959-02-9 Catalog No: AG001BBU MDL No:MFCD00040944
Product Description
Catalog Number:
AG001BBU
Chemical Name:
4-Pyridinecarboxylic acid, 3-bromo-
CAS Number:
13959-02-9
Molecular Formula:
C6H4BrNO2
Molecular Weight:
202.0055
MDL Number:
MFCD00040944
IUPAC Name:
3-bromopyridine-4-carboxylic acid
InChI:
InChI=1S/C6H4BrNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10)
InChI Key:
AVXWWBFBRTXBRM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccncc1Br
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.943g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.007g/mol
Monoisotopic Mass:
200.943g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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