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70190-72-6 | 2,4-Dichlorobenzoic acid chloromethyl ester
CAS No: 70190-72-6 Catalog No: AG00390M MDL No:
Product Description
Catalog Number:
AG00390M
Chemical Name:
2,4-Dichlorobenzoic acid chloromethyl ester
CAS Number:
70190-72-6
Molecular Formula:
C8H5Cl3O2
Molecular Weight:
239.4831
IUPAC Name:
chloromethyl 2,4-dichlorobenzoate
InChI:
InChI=1S/C8H5Cl3O2/c9-4-13-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
InChI Key:
DOIDCVLQRFSVNF-UHFFFAOYSA-N
SMILES:
ClCOC(=O)c1ccc(cc1Cl)Cl
NSC Number:
221226
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.936g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.476g/mol
Monoisotopic Mass:
237.936g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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