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1855907-38-8 | 3-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid
CAS No: 1855907-38-8 Catalog No: AG01FJ45 MDL No:
Product Description
Catalog Number:
AG01FJ45
Chemical Name:
3-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid
CAS Number:
1855907-38-8
Molecular Formula:
C9H11F3N2O2
Molecular Weight:
236.1910
IUPAC Name:
3-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoic acid
InChI:
InChI=1S/C9H11F3N2O2/c1-5-4-14(6(2)3-7(15)16)13-8(5)9(10,11)12/h4,6H,3H2,1-2H3,(H,15,16)
InChI Key:
UTGJTXFYYYNKTD-UHFFFAOYSA-N
SMILES:
OC(=O)CC(n1cc(c(n1)C(F)(F)F)C)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.194g/mol
Monoisotopic Mass:
236.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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