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6942-35-4 | 5-iodo-2-methyl-3-nitroaniline
CAS No: 6942-35-4 Catalog No: AG005ZQK MDL No:
Product Description
Catalog Number:
AG005ZQK
Chemical Name:
5-iodo-2-methyl-3-nitroaniline
CAS Number:
6942-35-4
Molecular Formula:
C7H7IN2O2
Molecular Weight:
278.0471
IUPAC Name:
5-iodo-2-methyl-3-nitroaniline
InChI:
InChI=1S/C7H7IN2O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,9H2,1H3
InChI Key:
BCVKJQFUXXLZFA-UHFFFAOYSA-N
SMILES:
Ic1cc(N)c(c(c1)[N+](=O)[O-])C
NSC Number:
57461
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.955g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.049g/mol
Monoisotopic Mass:
277.955g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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