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597563-45-6 | 3-IODO-5-METHYL-BENZOIC ACID METHYL ESTER
CAS No: 597563-45-6 Catalog No: AG00EZ3Y MDL No:
Product Description
Catalog Number:
AG00EZ3Y
Chemical Name:
3-IODO-5-METHYL-BENZOIC ACID METHYL ESTER
CAS Number:
597563-45-6
IUPAC Name:
methyl 3-iodo-5-methylbenzoate
InChI:
InChI=1S/C9H9IO2/c1-6-3-7(9(11)12-2)5-8(10)4-6/h3-5H,1-2H3
InChI Key:
WNZCQUCEIGXSQK-UHFFFAOYSA-N
Properties
Complexity:
170
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:
0
Isotope Atom Count:
0
Molecular Weight:
276.073g/mol
Monoisotopic Mass:
275.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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