Home Nitriles Benzonitrile, 3-hydroxy-4-iodo-

Benzonitrile, 3-hydroxy-4-iodo-

CAS No.:
210962-75-7
Catalog Number:
AG002L2S
Molecular Formula:
C7H4INO
Molecular Weight:
245.0172
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Product Description
Catalog Number:
AG002L2S
Chemical Name:
Benzonitrile, 3-hydroxy-4-iodo-
CAS Number:
210962-75-7
Molecular Formula:
C7H4INO
Molecular Weight:
245.0172
MDL Number:
MFCD12828346
IUPAC Name:
3-hydroxy-4-iodobenzonitrile
InChI:
InChI=1S/C7H4INO/c8-6-2-1-5(4-9)3-7(6)10/h1-3,10H
InChI Key:
JXTGXKQNEFYEKG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)O)I
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.934g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.019g/mol
Monoisotopic Mass:
244.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties