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130189-78-5 | Benzoic acid, 2,3-dichloro-, 1-methylethyl ester
CAS No: 130189-78-5 Catalog No: AG000U40 MDL No:
Product Description
Catalog Number:
AG000U40
Chemical Name:
Benzoic acid, 2,3-dichloro-, 1-methylethyl ester
CAS Number:
130189-78-5
Molecular Formula:
C10H10Cl2O2
Molecular Weight:
233.0912
IUPAC Name:
propan-2-yl 2,3-dichlorobenzoate
InChI:
InChI=1S/C10H10Cl2O2/c1-6(2)14-10(13)7-4-3-5-8(11)9(7)12/h3-6H,1-2H3
InChI Key:
ALCOSKITZGAESR-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1cccc(c1Cl)Cl)C
NSC Number:
405057
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.006g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.088g/mol
Monoisotopic Mass:
232.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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