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52107-98-9 | Benzoyl chloride, 3-iodo-4-Methyl-
CAS No: 52107-98-9 Catalog No: AG00D8YO MDL No:MFCD17015562
Product Description
Catalog Number:
AG00D8YO
Chemical Name:
Benzoyl chloride, 3-iodo-4-Methyl-
CAS Number:
52107-98-9
Molecular Formula:
C8H6ClIO
Molecular Weight:
280.4901
MDL Number:
MFCD17015562
IUPAC Name:
3-iodo-4-methylbenzoyl chloride
InChI:
InChI=1S/C8H6ClIO/c1-5-2-3-6(8(9)11)4-7(5)10/h2-4H,1H3
InChI Key:
JCOQBCLTGOENLA-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(c(c1)I)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.915g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.489g/mol
Monoisotopic Mass:
279.915g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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