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38418-25-6 | P-IODOACETOACETANILIDE
CAS No: 38418-25-6 Catalog No: AG00CJ2T MDL No:MFCD00053248
Product Description
Catalog Number:
AG00CJ2T
Chemical Name:
P-IODOACETOACETANILIDE
CAS Number:
38418-25-6
Molecular Formula:
C10H10INO2
Molecular Weight:
303.0964
MDL Number:
MFCD00053248
IUPAC Name:
N-(4-iodophenyl)-3-oxobutanamide
InChI:
InChI=1S/C10H10INO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)
InChI Key:
PHQKQZWGTMATIC-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)I)CC(=O)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.976g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.099g/mol
Monoisotopic Mass:
302.976g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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