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115964-19-7 | 1H-Pyrazole-3-carboxylic acid, 4,5-dichloro-
CAS No: 115964-19-7 Catalog No: AG000H8Q MDL No:MFCD12755886
Product Description
Catalog Number:
AG000H8Q
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4,5-dichloro-
CAS Number:
115964-19-7
Molecular Formula:
C4H2Cl2N2O2
Molecular Weight:
180.9769
MDL Number:
MFCD12755886
IUPAC Name:
4,5-dichloro-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C4H2Cl2N2O2/c5-1-2(4(9)10)7-8-3(1)6/h(H,7,8)(H,9,10)
InChI Key:
SKSVXZSMMGPUJO-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c(c1Cl)Cl
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.949g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.972g/mol
Monoisotopic Mass:
179.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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