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116632-41-8 | Benzene, 1-chloro-4-iodo-2-methyl-
CAS No: 116632-41-8 Catalog No: AG000CX4 MDL No:MFCD03093903
Product Description
Catalog Number:
AG000CX4
Chemical Name:
Benzene, 1-chloro-4-iodo-2-methyl-
CAS Number:
116632-41-8
Molecular Formula:
C7H6ClI
Molecular Weight:
252.4800
MDL Number:
MFCD03093903
IUPAC Name:
1-chloro-4-iodo-2-methylbenzene
InChI:
InChI=1S/C7H6ClI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
InChI Key:
MMBDKGFWRIYSRD-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)C)Cl
Properties
Complexity:
94.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.92g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.479g/mol
Monoisotopic Mass:
251.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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