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Home > Nitro Compounds > 27046-47-5
27046-47-5 | 1-[(2-nitrophenyl)methyl]-1H-pyrrole-2-carbonitrile
CAS No: 27046-47-5 Catalog No: AG00IYUO MDL No:MFCD03848686
Product Description
Catalog Number:
AG00IYUO
Chemical Name:
1-[(2-nitrophenyl)methyl]-1H-pyrrole-2-carbonitrile
CAS Number:
27046-47-5
Molecular Formula:
C12H9N3O2
Molecular Weight:
227.2188
MDL Number:
MFCD03848686
IUPAC Name:
1-[(2-nitrophenyl)methyl]pyrrole-2-carbonitrile
InChI:
InChI=1S/C12H9N3O2/c13-8-11-5-3-7-14(11)9-10-4-1-2-6-12(10)15(16)17/h1-7H,9H2
InChI Key:
ZAASDMKGNSYXQD-UHFFFAOYSA-N
SMILES:
N#Cc1cccn1Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.223g/mol
Monoisotopic Mass:
227.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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