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2315-84-6 | Benzonitrile, 4-(acetyloxy)-3,5-dibromo-
CAS No: 2315-84-6 Catalog No: AG002ME3 MDL No:
Product Description
Catalog Number:
AG002ME3
Chemical Name:
Benzonitrile, 4-(acetyloxy)-3,5-dibromo-
CAS Number:
2315-84-6
Molecular Formula:
C9H5Br2NO2
Molecular Weight:
318.9495
IUPAC Name:
(2,6-dibromo-4-cyanophenyl) acetate
InChI:
InChI=1S/C9H5Br2NO2/c1-5(13)14-9-7(10)2-6(4-12)3-8(9)11/h2-3H,1H3
InChI Key:
FZCAJMPJPVJNPB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)c(c(c1)Br)OC(=O)C
EC Number:
219-021-3
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.867g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.952g/mol
Monoisotopic Mass:
316.869g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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