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71849-98-4 | Benzoic acid,2,6-dichloro-, phenyl ester
CAS No: 71849-98-4 Catalog No: AG005FFS MDL No:MFCD00120714
Product Description
Catalog Number:
AG005FFS
Chemical Name:
Benzoic acid,2,6-dichloro-, phenyl ester
CAS Number:
71849-98-4
Molecular Formula:
C13H8Cl2O2
Molecular Weight:
267.1074
MDL Number:
MFCD00120714
IUPAC Name:
phenyl 2,6-dichlorobenzoate
InChI:
InChI=1S/C13H8Cl2O2/c14-10-7-4-8-11(15)12(10)13(16)17-9-5-2-1-3-6-9/h1-8H
InChI Key:
ZNPIVESKOKHXQF-UHFFFAOYSA-N
SMILES:
O=C(c1c(Cl)cccc1Cl)Oc1ccccc1
EC Number:
276-082-9
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.99g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.105g/mol
Monoisotopic Mass:
265.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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