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1312686-22-8 | Benzonitrile, 3-acetyl-5-chloro-2-hydroxy-6-methyl-
CAS No: 1312686-22-8 Catalog No: AG000VTE MDL No:
Product Description
Catalog Number:
AG000VTE
Chemical Name:
Benzonitrile, 3-acetyl-5-chloro-2-hydroxy-6-methyl-
CAS Number:
1312686-22-8
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
IUPAC Name:
3-acetyl-5-chloro-2-hydroxy-6-methylbenzonitrile
InChI:
InChI=1S/C10H8ClNO2/c1-5-8(4-12)10(14)7(6(2)13)3-9(5)11/h3,14H,1-2H3
InChI Key:
DRQHRCASLKCUPK-UHFFFAOYSA-N
SMILES:
N#Cc1c(O)c(cc(c1C)Cl)C(=O)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.629g/mol
Monoisotopic Mass:
209.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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