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96558-77-9 | 5-Chloro-2,3-dibromonitrobenzene
CAS No: 96558-77-9 Catalog No: AG01F07V MDL No:MFCD18379728
Product Description
Catalog Number:
AG01F07V
Chemical Name:
5-Chloro-2,3-dibromonitrobenzene
CAS Number:
96558-77-9
Molecular Formula:
C6H2Br2ClNO2
Molecular Weight:
315.3466
MDL Number:
MFCD18379728
IUPAC Name:
1,2-dibromo-5-chloro-3-nitrobenzene
InChI:
InChI=1S/C6H2Br2ClNO2/c7-4-1-3(9)2-5(6(4)8)10(11)12/h1-2H
InChI Key:
UQODRTJYQDHKPU-UHFFFAOYSA-N
SMILES:
Clc1cc(Br)c(c(c1)[N+](=O)[O-])Br
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.812g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.345g/mol
Monoisotopic Mass:
312.814g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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