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13815-89-9 | 1,4-Benzenedicarbonyl dichloride, 2-bromo-
CAS No: 13815-89-9 Catalog No: AG00182W MDL No:
Product Description
Catalog Number:
AG00182W
Chemical Name:
1,4-Benzenedicarbonyl dichloride, 2-bromo-
CAS Number:
13815-89-9
Molecular Formula:
C8H3BrCl2O2
Molecular Weight:
281.9182
IUPAC Name:
2-bromobenzene-1,4-dicarbonyl chloride
InChI:
InChI=1S/C8H3BrCl2O2/c9-6-3-4(7(10)12)1-2-5(6)8(11)13/h1-3H
InChI Key:
ZGKHHCNVAMHURP-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(c(c1)Br)C(=O)Cl
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.869g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.914g/mol
Monoisotopic Mass:
279.869g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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