Home Aminos Benzoic acid, 2-amino-4-iodo-, methyl ester

Benzoic acid, 2-amino-4-iodo-, methyl ester

CAS No.:
144550-76-5
Catalog Number:
AG001JQQ
Molecular Formula:
C8H8INO2
Molecular Weight:
277.0591
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Product Description
Catalog Number:
AG001JQQ
Chemical Name:
Benzoic acid, 2-amino-4-iodo-, methyl ester
CAS Number:
144550-76-5
Molecular Formula:
C8H8INO2
Molecular Weight:
277.0591
MDL Number:
MFCD13182440
IUPAC Name:
methyl 2-amino-4-iodobenzoate
InChI:
InChI=1S/C8H8INO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3
InChI Key:
FSNRVHNXSYBHSI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1N)I
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.96g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
277.061g/mol
Monoisotopic Mass:
276.96g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties