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1258298-05-3 | Benzoic acid, 2,6-dichloro-4-cyano-
CAS No: 1258298-05-3 Catalog No: AG000OSP MDL No:MFCD17926545
Product Description
Catalog Number:
AG000OSP
Chemical Name:
Benzoic acid, 2,6-dichloro-4-cyano-
CAS Number:
1258298-05-3
Molecular Formula:
C8H3Cl2NO2
Molecular Weight:
216.0209
MDL Number:
MFCD17926545
IUPAC Name:
2,6-dichloro-4-cyanobenzoic acid
InChI:
InChI=1S/C8H3Cl2NO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)
InChI Key:
RABGVNSIHQKYAS-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)c(c(c1)Cl)C(=O)O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.954g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.017g/mol
Monoisotopic Mass:
214.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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