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2905-54-6 | Benzoic acid, 2,3-dichloro-, methyl ester
CAS No: 2905-54-6 Catalog No: AG002VC1 MDL No:MFCD00061099
Product Description
Catalog Number:
AG002VC1
Chemical Name:
Benzoic acid, 2,3-dichloro-, methyl ester
CAS Number:
2905-54-6
Molecular Formula:
C8H6Cl2O2
Molecular Weight:
205.0380
MDL Number:
MFCD00061099
IUPAC Name:
methyl 2,3-dichlorobenzoate
InChI:
InChI=1S/C8H6Cl2O2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3
InChI Key:
RFVULUSGHFRDHJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1Cl)Cl
EC Number:
608-309-8
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.034g/mol
Monoisotopic Mass:
203.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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