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30186-41-5 | 1-(4-NITROPHENYL)-1H-PYRROLE-2-CARBALDEHYDE
CAS No: 30186-41-5 Catalog No: AG00BCNC MDL No:MFCD00452154
Product Description
Catalog Number:
AG00BCNC
Chemical Name:
1-(4-NITROPHENYL)-1H-PYRROLE-2-CARBALDEHYDE
CAS Number:
30186-41-5
Molecular Formula:
C11H8N2O3
Molecular Weight:
216.1928
MDL Number:
MFCD00452154
IUPAC Name:
1-(4-nitrophenyl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C11H8N2O3/c14-8-11-2-1-7-12(11)9-3-5-10(6-4-9)13(15)16/h1-8H
InChI Key:
HAWFRXCIWBFGHH-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.196g/mol
Monoisotopic Mass:
216.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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