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123158-75-8 | Benzenamine, 4-chloro-2-iodo-6-nitro-
CAS No: 123158-75-8 Catalog No: AG000K2X MDL No:MFCD23115369
Product Description
Catalog Number:
AG000K2X
Chemical Name:
Benzenamine, 4-chloro-2-iodo-6-nitro-
CAS Number:
123158-75-8
Molecular Formula:
C6H4ClIN2O2
Molecular Weight:
298.4656
MDL Number:
MFCD23115369
IUPAC Name:
4-chloro-2-iodo-6-nitroaniline
InChI:
InChI=1S/C6H4ClIN2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2
InChI Key:
WDQPNLNIJFQQRL-UHFFFAOYSA-N
SMILES:
Clc1cc(I)c(c(c1)[N+](=O)[O-])N
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.901g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.464g/mol
Monoisotopic Mass:
297.901g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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