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951918-93-7 | 2-(4-Bromo-3-methyl-phenoxy)acetonitrile
CAS No: 951918-93-7 Catalog No: AG01F05F MDL No:
Product Description
Catalog Number:
AG01F05F
Chemical Name:
2-(4-Bromo-3-methyl-phenoxy)acetonitrile
CAS Number:
951918-93-7
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
IUPAC Name:
2-(4-bromo-3-methylphenoxy)acetonitrile
InChI:
InChI=1S/C9H8BrNO/c1-7-6-8(12-5-4-11)2-3-9(7)10/h2-3,6H,5H2,1H3
InChI Key:
HBUCZKRCVGVIHA-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(c(c1)C)Br
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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