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1301754-03-9 | 1H-Pyrazole-3-carboxylic acid, 5-chloro-4-nitro-
CAS No: 1301754-03-9 Catalog No: AG000U30 MDL No:MFCD11109570
Product Description
Catalog Number:
AG000U30
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-chloro-4-nitro-
CAS Number:
1301754-03-9
Molecular Formula:
C4H2ClN3O4
Molecular Weight:
191.5294
MDL Number:
MFCD11109570
IUPAC Name:
5-chloro-4-nitro-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C4H2ClN3O4/c5-3-2(8(11)12)1(4(9)10)6-7-3/h(H,6,7)(H,9,10)
InChI Key:
SJKVXGMVUHWVIY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)[nH]nc1C(=O)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.973g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.527g/mol
Monoisotopic Mass:
190.973g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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