Home Halogens 2-(3-bromo-2-hydroxyphenyl)acetonitrile

2-(3-bromo-2-hydroxyphenyl)acetonitrile

CAS No.:
1261673-16-8
Catalog Number:
AG01B84K
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
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Product Description
Catalog Number:
AG01B84K
Chemical Name:
2-(3-bromo-2-hydroxyphenyl)acetonitrile
CAS Number:
1261673-16-8
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD18391512
IUPAC Name:
2-(3-bromo-2-hydroxyphenyl)acetonitrile
InChI:
InChI=1S/C8H6BrNO/c9-7-3-1-2-6(4-5-10)8(7)11/h1-3,11H,4H2
InChI Key:
BCPHRGXAUAOSCU-UHFFFAOYSA-N
SMILES:
Oc1c(CC#N)cccc1Br
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.963g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.046g/mol
Monoisotopic Mass:
210.963g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties