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108485-13-8 | 4-Bromo-2,3-dimethyl-6-nitroaniline
CAS No: 108485-13-8 Catalog No: AG003KVK MDL No:MFCD00051710
Product Description
Catalog Number:
AG003KVK
Chemical Name:
4-Bromo-2,3-dimethyl-6-nitroaniline
CAS Number:
108485-13-8
Molecular Formula:
C8H9BrN2O2
Molecular Weight:
245.0733
MDL Number:
MFCD00051710
IUPAC Name:
4-bromo-2,3-dimethyl-6-nitroaniline
InChI:
InChI=1S/C8H9BrN2O2/c1-4-5(2)8(10)7(11(12)13)3-6(4)9/h3H,10H2,1-2H3
InChI Key:
XRYVCCUUPIZPMI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c(c(c1N)C)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.985g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.076g/mol
Monoisotopic Mass:
243.985g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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