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Home > Bromides > 2090958-22-6
2090958-22-6 | 2-(5-bromo-2-chloro-4-methylphenyl)acetonitrile
CAS No: 2090958-22-6 Catalog No: AG01ELGX MDL No:
Product Description
Catalog Number:
AG01ELGX
Chemical Name:
2-(5-bromo-2-chloro-4-methylphenyl)acetonitrile
CAS Number:
2090958-22-6
Molecular Formula:
C9H7BrClN
Molecular Weight:
244.5156
IUPAC Name:
2-(5-bromo-2-chloro-4-methylphenyl)acetonitrile
InChI:
InChI=1S/C9H7BrClN/c1-6-4-9(11)7(2-3-12)5-8(6)10/h4-5H,2H2,1H3
InChI Key:
BKCZGGDBZVLXOT-UHFFFAOYSA-N
SMILES:
N#CCc1cc(Br)c(cc1Cl)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.945g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.516g/mol
Monoisotopic Mass:
242.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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