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Home > Nitro Compounds > 28494-49-7
28494-49-7 | 1H-Pyrrole-2-carbonyl chloride, 4-nitro-
CAS No: 28494-49-7 Catalog No: AG002VII MDL No:
Product Description
Catalog Number:
AG002VII
Chemical Name:
1H-Pyrrole-2-carbonyl chloride, 4-nitro-
CAS Number:
28494-49-7
Molecular Formula:
C5H3ClN2O3
Molecular Weight:
174.5419
IUPAC Name:
4-nitro-1H-pyrrole-2-carbonyl chloride
InChI:
InChI=1S/C5H3ClN2O3/c6-5(9)4-1-3(2-7-4)8(10)11/h1-2,7H
InChI Key:
MKSGLOKBGODMDG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c(c1)C(=O)Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.983g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.54g/mol
Monoisotopic Mass:
173.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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