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1005694-58-5 | 1H-Pyrazole-1-acetic acid, 4-chloro-α,3-dimethyl-
CAS No: 1005694-58-5 Catalog No: AG0002CY MDL No:MFCD03419631
Product Description
Catalog Number:
AG0002CY
Chemical Name:
1H-Pyrazole-1-acetic acid, 4-chloro-α,3-dimethyl-
CAS Number:
1005694-58-5
Molecular Formula:
C7H9ClN2O2
Molecular Weight:
188.6116
MDL Number:
MFCD03419631
IUPAC Name:
2-(4-chloro-3-methylpyrazol-1-yl)propanoic acid
InChI:
InChI=1S/C7H9ClN2O2/c1-4-6(8)3-10(9-4)5(2)7(11)12/h3,5H,1-2H3,(H,11,12)
InChI Key:
SSLNORZCZMFOLG-UHFFFAOYSA-N
SMILES:
OC(=O)C(n1cc(c(n1)C)Cl)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.611g/mol
Monoisotopic Mass:
188.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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