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1261569-51-0 | Benzoic acid, 3-amino-4-iodo-, ethyl ester
CAS No: 1261569-51-0 Catalog No: AG000RV1 MDL No:MFCD09839173
Product Description
Catalog Number:
AG000RV1
Chemical Name:
Benzoic acid, 3-amino-4-iodo-, ethyl ester
CAS Number:
1261569-51-0
Molecular Formula:
C9H10INO2
Molecular Weight:
291.0857
MDL Number:
MFCD09839173
IUPAC Name:
ethyl 3-amino-4-iodobenzoate
InChI:
InChI=1S/C9H10INO2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2,11H2,1H3
InChI Key:
QBJZQAQWVLGNJY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)N)I
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:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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