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1464091-62-0 | Benzoic acid, 2-amino-5-iodo-4-methyl-, methyl ester
CAS No: 1464091-62-0 Catalog No: AG001DZC MDL No:
Product Description
Catalog Number:
AG001DZC
Chemical Name:
Benzoic acid, 2-amino-5-iodo-4-methyl-, methyl ester
CAS Number:
1464091-62-0
Molecular Formula:
C9H10INO2
Molecular Weight:
291.0857
IUPAC Name:
methyl 2-amino-5-iodo-4-methylbenzoate
InChI:
InChI=1S/C9H10INO2/c1-5-3-8(11)6(4-7(5)10)9(12)13-2/h3-4H,11H2,1-2H3
InChI Key:
NFCJVRIKQOSUBJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(I)c(cc1N)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.976g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.088g/mol
Monoisotopic Mass:
290.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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