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1305711-86-7 | 1H-Pyrazole-4-carboxylic acid, 1-(3-chloro-2-pyridinyl)-5-(difluoromethyl)-
CAS No: 1305711-86-7 Catalog No: AG000UNM MDL No:MFCD18089519
Product Description
Catalog Number:
AG000UNM
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(3-chloro-2-pyridinyl)-5-(difluoromethyl)-
CAS Number:
1305711-86-7
Molecular Formula:
C10H6ClF2N3O2
Molecular Weight:
273.6233
MDL Number:
MFCD18089519
IUPAC Name:
1-(3-chloropyridin-2-yl)-5-(difluoromethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H6ClF2N3O2/c11-6-2-1-3-14-9(6)16-7(8(12)13)5(4-15-16)10(17)18/h1-4,8H,(H,17,18)
InChI Key:
ADLXIHFVNXZHCX-UHFFFAOYSA-N
SMILES:
FC(c1c(cnn1c1ncccc1Cl)C(=O)O)F
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.012g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.624g/mol
Monoisotopic Mass:
273.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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