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Home > Nitro Compounds > 1280538-10-4
1280538-10-4 | 1-(6-nitro-2H-1,3-benzodioxol-5-yl)-1H-pyrrole
CAS No: 1280538-10-4 Catalog No: AG00ISCZ MDL No:MFCD16627981
Product Description
Catalog Number:
AG00ISCZ
Chemical Name:
1-(6-nitro-2H-1,3-benzodioxol-5-yl)-1H-pyrrole
CAS Number:
1280538-10-4
Molecular Formula:
C11H8N2O4
Molecular Weight:
232.1922
MDL Number:
MFCD16627981
IUPAC Name:
1-(6-nitro-1,3-benzodioxol-5-yl)pyrrole
InChI:
InChI=1S/C11H8N2O4/c14-13(15)9-6-11-10(16-7-17-11)5-8(9)12-3-1-2-4-12/h1-6H,7H2
InChI Key:
PFOJFBQHGFDFLO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2OCOc2cc1n1cccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.195g/mol
Monoisotopic Mass:
232.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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