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200627-65-2 | Benzoic acid, 4-iodo-2,6-dimethyl-, methyl ester
CAS No: 200627-65-2 Catalog No: AG002CW6 MDL No:
Product Description
Catalog Number:
AG002CW6
Chemical Name:
Benzoic acid, 4-iodo-2,6-dimethyl-, methyl ester
CAS Number:
200627-65-2
Molecular Formula:
C10H11IO2
Molecular Weight:
290.0976
IUPAC Name:
methyl 4-iodo-2,6-dimethylbenzoate
InChI:
InChI=1S/C10H11IO2/c1-6-4-8(11)5-7(2)9(6)10(12)13-3/h4-5H,1-3H3
InChI Key:
YZNLYRKXPCOKLE-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cc(cc1C)I
NSC Number:
97130
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.98g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.1g/mol
Monoisotopic Mass:
289.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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