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1131614-34-0 | 3-Iodo-4-isobutyraMidobenzoic acid
CAS No: 1131614-34-0 Catalog No: AG00HCM4 MDL No:MFCD11112925
Product Description
Catalog Number:
AG00HCM4
Chemical Name:
3-Iodo-4-isobutyraMidobenzoic acid
CAS Number:
1131614-34-0
Molecular Formula:
C11H12INO3
Molecular Weight:
333.1223
MDL Number:
MFCD11112925
IUPAC Name:
3-iodo-4-(2-methylpropanoylamino)benzoic acid
InChI:
InChI=1S/C11H12INO3/c1-6(2)10(14)13-9-4-3-7(11(15)16)5-8(9)12/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChI Key:
KUPOHPBPZLWBSJ-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)Nc1ccc(cc1I)C(=O)O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.986g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.125g/mol
Monoisotopic Mass:
332.986g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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