Home Other Building Blocks 2-[3-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid

2-[3-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid

CAS No.:
1489145-82-5
Catalog Number:
AG01AOWO
Molecular Formula:
C6H6F2N2O2
Molecular Weight:
176.1208
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Product Description
Catalog Number:
AG01AOWO
Chemical Name:
2-[3-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid
CAS Number:
1489145-82-5
Molecular Formula:
C6H6F2N2O2
Molecular Weight:
176.1208
MDL Number:
MFCD21668367
IUPAC Name:
2-[3-(difluoromethyl)pyrazol-1-yl]acetic acid
InChI:
InChI=1S/C6H6F2N2O2/c7-6(8)4-1-2-10(9-4)3-5(11)12/h1-2,6H,3H2,(H,11,12)
InChI Key:
JPQWBOAZSRCZGT-UHFFFAOYSA-N
SMILES:
FC(c1ccn(n1)CC(=O)O)F
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.123g/mol
Monoisotopic Mass:
176.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties