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114811-46-0 | Benzeneacetic acid, α-amino-4-(iodo-125I)-, (R)- (9CI)
CAS No: 114811-46-0 Catalog No: AG000FAF MDL No:
Product Description
Catalog Number:
AG000FAF
Chemical Name:
Benzeneacetic acid, α-amino-4-(iodo-125I)-, (R)- (9CI)
CAS Number:
114811-46-0
Molecular Formula:
C8H8INO2
Molecular Weight:
277.0591
IUPAC Name:
2-amino-2-(4-iodophenyl)acetic acid
InChI:
InChI=1S/C8H8INO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
InChI Key:
SHUIEJDVWZHDTI-UHFFFAOYSA-N
SMILES:
NC(c1ccc(cc1)I)C(=O)O
Properties
Complexity:
166
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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