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20776-55-0 | Benzoic acid, 2-amino-3-iodo-
CAS No: 20776-55-0 Catalog No: AG002J9H MDL No:MFCD06808542
Product Description
Catalog Number:
AG002J9H
Chemical Name:
Benzoic acid, 2-amino-3-iodo-
CAS Number:
20776-55-0
Molecular Formula:
C7H6INO2
Molecular Weight:
263.0325
MDL Number:
MFCD06808542
IUPAC Name:
2-amino-3-iodobenzoic acid
InChI:
InChI=1S/C7H6INO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)
InChI Key:
NPQWFVGQIVTULM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1N)I
NSC Number:
135149
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.944g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.034g/mol
Monoisotopic Mass:
262.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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