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189812-96-2 | Benzamide, 4-amino-3-iodo-
CAS No: 189812-96-2 Catalog No: AG002DZH MDL No:
Product Description
Catalog Number:
AG002DZH
Chemical Name:
Benzamide, 4-amino-3-iodo-
CAS Number:
189812-96-2
Molecular Formula:
C7H7IN2O
Molecular Weight:
262.0478
IUPAC Name:
4-amino-3-iodobenzamide
InChI:
InChI=1S/C7H7IN2O/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H2,10,11)
InChI Key:
RNODGBHRMOLWOJ-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(c(c1)I)N
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.96g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.05g/mol
Monoisotopic Mass:
261.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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