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868540-77-6 | Methyl 3-iodo-4-(methylamino)benzoate
CAS No: 868540-77-6 Catalog No: AG003RSK MDL No:
Product Description
Catalog Number:
AG003RSK
Chemical Name:
Methyl 3-iodo-4-(methylamino)benzoate
CAS Number:
868540-77-6
Molecular Formula:
C9H10INO2
Molecular Weight:
291.0857
IUPAC Name:
methyl 3-iodo-4-(methylamino)benzoate
InChI:
InChI=1S/C9H10INO2/c1-11-8-4-3-6(5-7(8)10)9(12)13-2/h3-5,11H,1-2H3
InChI Key:
MMLWRJLRIKPCQU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)I)NC
Properties
Complexity:
187
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:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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