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Home > Bromides > 1805579-11-6
1805579-11-6 | 3-Pyridinecarboxylic acid, 6-bromo-5-(trifluoromethyl)-
CAS No: 1805579-11-6 Catalog No: AG00223G MDL No:MFCD22372613
Product Description
Catalog Number:
AG00223G
Chemical Name:
3-Pyridinecarboxylic acid, 6-bromo-5-(trifluoromethyl)-
CAS Number:
1805579-11-6
Molecular Formula:
C7H3BrF3NO2
Molecular Weight:
270.0034
MDL Number:
MFCD22372613
IUPAC Name:
6-bromo-5-(trifluoromethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H3BrF3NO2/c8-5-4(7(9,10)11)1-3(2-12-5)6(13)14/h1-2H,(H,13,14)
InChI Key:
ROFHPSYCGBNEEP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(c(c1)C(F)(F)F)Br
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.93g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.005g/mol
Monoisotopic Mass:
268.93g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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