Home Nitriles 2-broMo-3-(hydroxyMethyl)benzonitrile

2-broMo-3-(hydroxyMethyl)benzonitrile

CAS No.:
1086429-88-0
Catalog Number:
AG0094PC
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
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Product Description
Catalog Number:
AG0094PC
Chemical Name:
2-broMo-3-(hydroxyMethyl)benzonitrile
CAS Number:
1086429-88-0
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD18206375
IUPAC Name:
2-bromo-3-(hydroxymethyl)benzonitrile
InChI:
InChI=1S/C8H6BrNO/c9-8-6(4-10)2-1-3-7(8)5-11/h1-3,11H,5H2
InChI Key:
CWLVWDFXEGFJSM-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1Br)C#N
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:
1.4  
Properties