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249647-28-7 | Benzeneacetonitrile, 3-bromo-4-chloro-
CAS No: 249647-28-7 Catalog No: AG002Q0I MDL No:MFCD18390588
Product Description
Catalog Number:
AG002Q0I
Chemical Name:
Benzeneacetonitrile, 3-bromo-4-chloro-
CAS Number:
249647-28-7
Molecular Formula:
C8H5BrClN
Molecular Weight:
230.4890
MDL Number:
MFCD18390588
IUPAC Name:
2-(3-bromo-4-chlorophenyl)acetonitrile
InChI:
InChI=1S/C8H5BrClN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3H2
InChI Key:
MHPCTXBOVJTCKT-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)Br)Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.929g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.489g/mol
Monoisotopic Mass:
228.929g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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