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113485-46-4 | Benzoyl chloride, 3,5-dichloro-4-methyl-
CAS No: 113485-46-4 Catalog No: AG0008Q3 MDL No:MFCD11557536
Product Description
Catalog Number:
AG0008Q3
Chemical Name:
Benzoyl chloride, 3,5-dichloro-4-methyl-
CAS Number:
113485-46-4
Molecular Formula:
C8H5Cl3O
Molecular Weight:
223.4837
MDL Number:
MFCD11557536
IUPAC Name:
3,5-dichloro-4-methylbenzoyl chloride
InChI:
InChI=1S/C8H5Cl3O/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,1H3
InChI Key:
UNONPWRUIRVAIG-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cc(Cl)c(c(c1)Cl)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.941g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.477g/mol
Monoisotopic Mass:
221.941g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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