Home Halogens 2-(3-bromo-4-ethoxyphenyl)acetonitrile

2-(3-bromo-4-ethoxyphenyl)acetonitrile

CAS No.:
774-79-8
Catalog Number:
AG01A9PH
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
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Product Description
Catalog Number:
AG01A9PH
Chemical Name:
2-(3-bromo-4-ethoxyphenyl)acetonitrile
CAS Number:
774-79-8
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
MDL Number:
MFCD02763853
IUPAC Name:
2-(3-bromo-4-ethoxyphenyl)acetonitrile
InChI:
InChI=1S/C10H10BrNO/c1-2-13-10-4-3-8(5-6-12)7-9(10)11/h3-4,7H,2,5H2,1H3
InChI Key:
VCBJUORYPNLMNT-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1Br)CC#N
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:
2.6  
Properties