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116632-40-7 | Benzene, 2-chloro-1-iodo-3-methyl-
CAS No: 116632-40-7 Catalog No: AG000CX5 MDL No:MFCD06797214
Product Description
Catalog Number:
AG000CX5
Chemical Name:
Benzene, 2-chloro-1-iodo-3-methyl-
CAS Number:
116632-40-7
Molecular Formula:
C7H6ClI
Molecular Weight:
252.4800
MDL Number:
MFCD06797214
IUPAC Name:
2-chloro-1-iodo-3-methylbenzene
InChI:
InChI=1S/C7H6ClI/c1-5-3-2-4-6(9)7(5)8/h2-4H,1H3
InChI Key:
BMOXOVSKEZCZDG-UHFFFAOYSA-N
SMILES:
Clc1c(C)cccc1I
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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