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137832-56-5 | Benzoic acid, 4-amino-5-iodo-2-methoxy-, methyl ester
CAS No: 137832-56-5 Catalog No: AG0013X2 MDL No:MFCD11112895
Product Description
Catalog Number:
AG0013X2
Chemical Name:
Benzoic acid, 4-amino-5-iodo-2-methoxy-, methyl ester
CAS Number:
137832-56-5
Molecular Formula:
C9H10INO3
Molecular Weight:
307.0851
MDL Number:
MFCD11112895
IUPAC Name:
methyl 4-amino-5-iodo-2-methoxybenzoate
InChI:
InChI=1S/C9H10INO3/c1-13-8-4-7(11)6(10)3-5(8)9(12)14-2/h3-4H,11H2,1-2H3
InChI Key:
BHSONSDBOHRILN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(I)c(cc1OC)N
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.971g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.087g/mol
Monoisotopic Mass:
306.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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