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117824-52-9 | 2-Amino-3,5-dibromo-6-nitrotoluene
CAS No: 117824-52-9 Catalog No: AG01FE24 MDL No:MFCD09800827
Product Description
Catalog Number:
AG01FE24
Chemical Name:
2-Amino-3,5-dibromo-6-nitrotoluene
CAS Number:
117824-52-9
Molecular Formula:
C7H6Br2N2O2
Molecular Weight:
309.9427
MDL Number:
MFCD09800827
IUPAC Name:
4,6-dibromo-2-methyl-3-nitroaniline
InChI:
InChI=1S/C7H6Br2N2O2/c1-3-6(10)4(8)2-5(9)7(3)11(12)13/h2H,10H2,1H3
InChI Key:
KJLPPTNJPAJNMQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Br)cc(c(c1C)N)Br
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.878g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.945g/mol
Monoisotopic Mass:
307.88g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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