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137938-94-4 | Benzene, dibromonitro- (9CI)
CAS No: 137938-94-4 Catalog No: AG0017P2 MDL No:
Product Description
Catalog Number:
AG0017P2
Chemical Name:
Benzene, dibromonitro- (9CI)
CAS Number:
137938-94-4
Molecular Formula:
C6H3Br2NO2
Molecular Weight:
280.9015
IUPAC Name:
1,2-dibromo-3-nitrobenzene
InChI:
InChI=1S/C6H3Br2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
InChI Key:
LPOQWSWPRAGSBK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1Br)Br
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.851g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.903g/mol
Monoisotopic Mass:
278.853g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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