Home Halogens Benzonitrile, 4-bromo-3-(ethoxymethyl)-

Benzonitrile, 4-bromo-3-(ethoxymethyl)-

CAS No.:
837408-81-8
Catalog Number:
AG01CCRM
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
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Product Description
Catalog Number:
AG01CCRM
Chemical Name:
Benzonitrile, 4-bromo-3-(ethoxymethyl)-
CAS Number:
837408-81-8
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
MDL Number:
MFCD27929464
IUPAC Name:
4-bromo-3-(ethoxymethyl)benzonitrile
InChI:
InChI=1S/C10H10BrNO/c1-2-13-7-9-5-8(6-12)3-4-10(9)11/h3-5H,2,7H2,1H3
InChI Key:
XRJSKTBQQQSECE-UHFFFAOYSA-N
SMILES:
CCOCc1cc(ccc1Br)C#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:
2.3  
Properties