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29568-76-1 | Benzoyl chloride, 3,5-dichloro-4-methoxy-
CAS No: 29568-76-1 Catalog No: AG002YRT MDL No:MFCD02063082
Product Description
Catalog Number:
AG002YRT
Chemical Name:
Benzoyl chloride, 3,5-dichloro-4-methoxy-
CAS Number:
29568-76-1
Molecular Formula:
C8H5Cl3O2
Molecular Weight:
239.4831
MDL Number:
MFCD02063082
IUPAC Name:
3,5-dichloro-4-methoxybenzoyl chloride
InChI:
InChI=1S/C8H5Cl3O2/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3H,1H3
InChI Key:
XWIGDNQZKUVSQD-UHFFFAOYSA-N
SMILES:
COc1c(Cl)cc(cc1Cl)C(=O)Cl
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:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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