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1891-95-8 | Benzonitrile, 3,5-dichloro-4-hydroxy-
CAS No: 1891-95-8 Catalog No: AG002HVH MDL No:MFCD00002177
Product Description
Catalog Number:
AG002HVH
Chemical Name:
Benzonitrile, 3,5-dichloro-4-hydroxy-
CAS Number:
1891-95-8
Molecular Formula:
C7H3Cl2NO
Molecular Weight:
188.0108
MDL Number:
MFCD00002177
IUPAC Name:
3,5-dichloro-4-hydroxybenzonitrile
InChI:
InChI=1S/C7H3Cl2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
InChI Key:
YRSSHOVRSMQULE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)c(c(c1)Cl)O
EC Number:
217-572-4
UNII:
GI6X21WSVN
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.959g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.007g/mol
Monoisotopic Mass:
186.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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