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163259-83-4 | Benzenepropanenitrile, 5-bromo-2-methoxy-
CAS No: 163259-83-4 Catalog No: AG001TXY MDL No:
Product Description
Catalog Number:
AG001TXY
Chemical Name:
Benzenepropanenitrile, 5-bromo-2-methoxy-
CAS Number:
163259-83-4
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
IUPAC Name:
3-(5-bromo-2-methoxyphenyl)propanenitrile
InChI:
InChI=1S/C10H10BrNO/c1-13-10-5-4-9(11)7-8(10)3-2-6-12/h4-5,7H,2-3H2,1H3
InChI Key:
FERAPTIKPBBCIN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CCC#N)Br
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.1g/mol
Monoisotopic Mass:
238.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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