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885951-67-7 | 6-(Bromomethyl)picolinic acid
CAS No: 885951-67-7 Catalog No: AG004B39 MDL No:
Product Description
Catalog Number:
AG004B39
Chemical Name:
6-(Bromomethyl)picolinic acid
CAS Number:
885951-67-7
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
IUPAC Name:
6-(bromomethyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C7H6BrNO2/c8-4-5-2-1-3-6(9-5)7(10)11/h1-3H,4H2,(H,10,11)
InChI Key:
YLHLANHPBJQXGA-UHFFFAOYSA-N
SMILES:
BrCc1cccc(n1)C(=O)O
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:
1.3
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