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Home > Nitro Compounds > 87388-14-5
87388-14-5 | 1H-Pyrrole-3-carbonitrile, 4-(3-nitrophenyl)-
CAS No: 87388-14-5 Catalog No: AG004NTK MDL No:
Product Description
Catalog Number:
AG004NTK
Chemical Name:
1H-Pyrrole-3-carbonitrile, 4-(3-nitrophenyl)-
CAS Number:
87388-14-5
Molecular Formula:
C11H7N3O2
Molecular Weight:
213.1922
IUPAC Name:
4-(3-nitrophenyl)-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C11H7N3O2/c12-5-9-6-13-7-11(9)8-2-1-3-10(4-8)14(15)16/h1-4,6-7,13H
InChI Key:
NQSNUPVSAJEFID-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]cc1c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.196g/mol
Monoisotopic Mass:
213.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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