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1211578-13-0 | 3-iodo-N-methoxy-N-methyl-5-nitrobenzamide
CAS No: 1211578-13-0 Catalog No: AG00IT3O MDL No:MFCD20921589
Product Description
Catalog Number:
AG00IT3O
Chemical Name:
3-iodo-N-methoxy-N-methyl-5-nitrobenzamide
CAS Number:
1211578-13-0
Molecular Formula:
C9H9IN2O4
Molecular Weight:
336.0832
MDL Number:
MFCD20921589
IUPAC Name:
3-iodo-N-methoxy-N-methyl-5-nitrobenzamide
InChI:
InChI=1S/C9H9IN2O4/c1-11(16-2)9(13)6-3-7(10)5-8(4-6)12(14)15/h3-5H,1-2H3
InChI Key:
CAPJJQUIPOALAQ-UHFFFAOYSA-N
SMILES:
CON(C(=O)c1cc(I)cc(c1)[N+](=O)[O-])C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.961g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.085g/mol
Monoisotopic Mass:
335.961g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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