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155382-86-8 | Benzoic acid, 3,4-dichloro-2-methoxy-
CAS No: 155382-86-8 Catalog No: AG001NUZ MDL No:
Product Description
Catalog Number:
AG001NUZ
Chemical Name:
Benzoic acid, 3,4-dichloro-2-methoxy-
CAS Number:
155382-86-8
Molecular Formula:
C8H6Cl2O3
Molecular Weight:
221.0374
IUPAC Name:
3,4-dichloro-2-methoxybenzoic acid
InChI:
InChI=1S/C8H6Cl2O3/c1-13-7-4(8(11)12)2-3-5(9)6(7)10/h2-3H,1H3,(H,11,12)
InChI Key:
VSFXUMIYSSTHSQ-UHFFFAOYSA-N
SMILES:
COc1c(ccc(c1Cl)Cl)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:
2.2
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