Home Nitriles 3-Bromo-5-methylphenylacetonitrile

3-Bromo-5-methylphenylacetonitrile

CAS No.:
871116-91-5
Catalog Number:
AG01DDBY
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01DDBY
Chemical Name:
3-Bromo-5-methylphenylacetonitrile
CAS Number:
871116-91-5
MDL Number:
MFCD18204796
IUPAC Name:
2-(3-bromo-5-methylphenyl)acetonitrile
InChI:
InChI=1S/C9H8BrN/c1-7-4-8(2-3-11)6-9(10)5-7/h4-6H,2H2,1H3
InChI Key:
ACTDHAVSXUXSGE-UHFFFAOYSA-N
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.984g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.074g/mol
Monoisotopic Mass:
208.984g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties