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1261861-32-8 | Benzeneacetic acid, 2-amino-4-iodo-
CAS No: 1261861-32-8 Catalog No: AG000S2I MDL No:
Product Description
Catalog Number:
AG000S2I
Chemical Name:
Benzeneacetic acid, 2-amino-4-iodo-
CAS Number:
1261861-32-8
Molecular Formula:
C8H8INO2
Molecular Weight:
277.0591
IUPAC Name:
2-(2-amino-4-iodophenyl)acetic acid
InChI:
InChI=1S/C8H8INO2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3,10H2,(H,11,12)
InChI Key:
QGYFNANHYBDSDA-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1N)I
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.061g/mol
Monoisotopic Mass:
276.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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