Home Halogens 4-chloro-5-nitro-1H-pyrrole-2-carboxylic acid

4-chloro-5-nitro-1H-pyrrole-2-carboxylic acid

CAS No.:
1118787-10-2
Catalog Number:
AG019UNL
Molecular Formula:
C5H3ClN2O4
Molecular Weight:
190.5413
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Product Description
Catalog Number:
AG019UNL
Chemical Name:
4-chloro-5-nitro-1H-pyrrole-2-carboxylic acid
CAS Number:
1118787-10-2
Molecular Formula:
C5H3ClN2O4
Molecular Weight:
190.5413
MDL Number:
MFCD11840132
IUPAC Name:
4-chloro-5-nitro-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C5H3ClN2O4/c6-2-1-3(5(9)10)7-4(2)8(11)12/h1,7H,(H,9,10)
InChI Key:
LUHFMJNZRSMDEI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1[nH]c(cc1Cl)C(=O)O
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.978g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
190.539g/mol
Monoisotopic Mass:
189.978g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties