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18159-11-0 | 1H-Pyrrole, 3-nitro-1-(phenylmethyl)-
CAS No: 18159-11-0 Catalog No: AG0022YU MDL No:
Product Description
Catalog Number:
AG0022YU
Chemical Name:
1H-Pyrrole, 3-nitro-1-(phenylmethyl)-
CAS Number:
18159-11-0
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
IUPAC Name:
1-benzyl-3-nitropyrrole
InChI:
InChI=1S/C11H10N2O2/c14-13(15)11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChI Key:
HZDRORMSKAGKHF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(c1)Cc1ccccc1
NSC Number:
115169
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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