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1096894-29-9 | N-cyclopropyl-2-iodo-5-nitrobenzamide
CAS No: 1096894-29-9 Catalog No: AG01BU0U MDL No:MFCD12409056
Product Description
Catalog Number:
AG01BU0U
Chemical Name:
N-cyclopropyl-2-iodo-5-nitrobenzamide
CAS Number:
1096894-29-9
Molecular Formula:
C10H9IN2O3
Molecular Weight:
332.0945
MDL Number:
MFCD12409056
IUPAC Name:
N-cyclopropyl-2-iodo-5-nitrobenzamide
InChI:
InChI=1S/C10H9IN2O3/c11-9-4-3-7(13(15)16)5-8(9)10(14)12-6-1-2-6/h3-6H,1-2H2,(H,12,14)
InChI Key:
CKIGRIBXLZAPEP-UHFFFAOYSA-N
SMILES:
O=C(c1cc(ccc1I)[N+](=O)[O-])NC1CC1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.966g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.097g/mol
Monoisotopic Mass:
331.966g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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