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160561-81-9 | 1H-Pyrrole-2-carboxylic acid, 3,4-difluoro-
CAS No: 160561-81-9 Catalog No: AG001S1G MDL No:
Product Description
Catalog Number:
AG001S1G
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 3,4-difluoro-
CAS Number:
160561-81-9
Molecular Formula:
C5H3F2NO2
Molecular Weight:
147.0796
IUPAC Name:
3,4-difluoro-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C5H3F2NO2/c6-2-1-8-4(3(2)7)5(9)10/h1,8H,(H,9,10)
InChI Key:
ROPLWPKNISNOGV-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]cc(c1F)F
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.013g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.081g/mol
Monoisotopic Mass:
147.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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