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87974-89-8 | Butanoic acid, 2-(benzoylamino)-4-iodo-, methyl ester
CAS No: 87974-89-8 Catalog No: AG004LWT MDL No:
Product Description
Catalog Number:
AG004LWT
Chemical Name:
Butanoic acid, 2-(benzoylamino)-4-iodo-, methyl ester
CAS Number:
87974-89-8
Molecular Formula:
C12H14INO3
Molecular Weight:
347.1489
IUPAC Name:
methyl 2-benzamido-4-iodobutanoate
InChI:
InChI=1S/C12H14INO3/c1-17-12(16)10(7-8-13)14-11(15)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,15)
InChI Key:
AJVZDLGVWWEGII-UHFFFAOYSA-N
SMILES:
ICCC(C(=O)OC)NC(=O)c1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.002g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.152g/mol
Monoisotopic Mass:
347.002g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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