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1131614-35-1 | 4-ButyraMido-3-iodobenzoic acid
CAS No: 1131614-35-1 Catalog No: AG00HCM5 MDL No:
Product Description
Catalog Number:
AG00HCM5
Chemical Name:
4-ButyraMido-3-iodobenzoic acid
CAS Number:
1131614-35-1
IUPAC Name:
4-(butanoylamino)-3-iodobenzoic acid
InChI:
InChI=1S/C11H12INO3/c1-2-3-10(14)13-9-5-4-7(11(15)16)6-8(9)12/h4-6H,2-3H2,1H3,(H,13,14)(H,15,16)
InChI Key:
NFWRCWFSTKAGHS-UHFFFAOYSA-N
Properties
Complexity:
270
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:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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