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35149-23-6 | 2-Iodo-4,5-dimethylbenzoic acid
CAS No: 35149-23-6 Catalog No: AG00CMZH MDL No:MFCD14583068
Product Description
Catalog Number:
AG00CMZH
Chemical Name:
2-Iodo-4,5-dimethylbenzoic acid
CAS Number:
35149-23-6
Molecular Formula:
C9H9IO2
Molecular Weight:
276.0710
MDL Number:
MFCD14583068
IUPAC Name:
2-iodo-4,5-dimethylbenzoic acid
InChI:
InChI=1S/C9H9IO2/c1-5-3-7(9(11)12)8(10)4-6(5)2/h3-4H,1-2H3,(H,11,12)
InChI Key:
UJPYLBURWVNVJI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C)c(cc1I)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.073g/mol
Monoisotopic Mass:
275.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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