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2500-03-0 | Benzoic acid, 2,5-dichloro-4-methoxy-
CAS No: 2500-03-0 Catalog No: AG002Q4W MDL No:MFCD00214270
Product Description
Catalog Number:
AG002Q4W
Chemical Name:
Benzoic acid, 2,5-dichloro-4-methoxy-
CAS Number:
2500-03-0
Molecular Formula:
C8H6Cl2O3
Molecular Weight:
221.0374
MDL Number:
MFCD00214270
IUPAC Name:
2,5-dichloro-4-methoxybenzoic acid
InChI:
InChI=1S/C8H6Cl2O3/c1-13-7-3-5(9)4(8(11)12)2-6(7)10/h2-3H,1H3,(H,11,12)
InChI Key:
VIMHPDKXVNPSTD-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)c(cc1Cl)C(=O)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.033g/mol
Monoisotopic Mass:
219.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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