Home Halogens 2-(4-bromophenyl)-2-hydroxyacetonitrile

2-(4-bromophenyl)-2-hydroxyacetonitrile

CAS No.:
58289-69-3
Catalog Number:
AG01DJRA
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
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Product Description
Catalog Number:
AG01DJRA
Chemical Name:
2-(4-bromophenyl)-2-hydroxyacetonitrile
CAS Number:
58289-69-3
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD12169330
IUPAC Name:
2-(4-bromophenyl)-2-hydroxyacetonitrile
InChI:
InChI=1S/C8H6BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H
InChI Key:
AYTVNJIUMVFUCJ-UHFFFAOYSA-N
SMILES:
OC(c1ccc(cc1)Br)C#N
Properties
Complexity:
166  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties