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39891-12-8 | 5-Bromo-3-pyridylacetic acid
CAS No: 39891-12-8 Catalog No: AG003481 MDL No:MFCD00829308
Product Description
Catalog Number:
AG003481
Chemical Name:
5-Bromo-3-pyridylacetic acid
CAS Number:
39891-12-8
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
MDL Number:
MFCD00829308
IUPAC Name:
2-(5-bromopyridin-3-yl)acetic acid
InChI:
InChI=1S/C7H6BrNO2/c8-6-1-5(2-7(10)11)3-9-4-6/h1,3-4H,2H2,(H,10,11)
InChI Key:
UETIDNDXXGCJCE-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cncc(c1)Br
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.958g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.034g/mol
Monoisotopic Mass:
214.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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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