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66572-56-3 | 2-Bromoisonicotinic acid
CAS No: 66572-56-3 Catalog No: AG003GS1 MDL No:MFCD01646069
Product Description
Catalog Number:
AG003GS1
Chemical Name:
2-Bromoisonicotinic acid
CAS Number:
66572-56-3
Molecular Formula:
C6H4BrNO2
Molecular Weight:
202.0055
MDL Number:
MFCD01646069
IUPAC Name:
2-bromopyridine-4-carboxylic acid
InChI:
InChI=1S/C6H4BrNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)
InChI Key:
YBTKGKVQEXAYEM-UHFFFAOYSA-N
SMILES:
Brc1nccc(c1)C(=O)O
NSC Number:
9462
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:
1.2
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