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249647-27-6 | Benzeneacetonitrile, 3,4-dibromo-
CAS No: 249647-27-6 Catalog No: AG002Q0J MDL No:
Product Description
Catalog Number:
AG002Q0J
Chemical Name:
Benzeneacetonitrile, 3,4-dibromo-
CAS Number:
249647-27-6
Molecular Formula:
C8H5Br2N
Molecular Weight:
274.9400
IUPAC Name:
2-(3,4-dibromophenyl)acetonitrile
InChI:
InChI=1S/C8H5Br2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
InChI Key:
DQIBJVLPBIGDSX-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)Br)Br
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.877g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.943g/mol
Monoisotopic Mass:
272.879g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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