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161949-50-4 | Benzene, 1-chloro-4-iodo-2-methoxy-
CAS No: 161949-50-4 Catalog No: AG001SJ9 MDL No:MFCD00672968
Product Description
Catalog Number:
AG001SJ9
Chemical Name:
Benzene, 1-chloro-4-iodo-2-methoxy-
CAS Number:
161949-50-4
Molecular Formula:
C7H6ClIO
Molecular Weight:
268.4794
MDL Number:
MFCD00672968
IUPAC Name:
1-chloro-4-iodo-2-methoxybenzene
InChI:
InChI=1S/C7H6ClIO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3
InChI Key:
JFOAEMJHYWJFHL-UHFFFAOYSA-N
SMILES:
COc1cc(I)ccc1Cl
EC Number:
605-273-5
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.915g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.478g/mol
Monoisotopic Mass:
267.915g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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