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57841-90-4 | 3-IODO-N-PHENYL-2-PYRIDINECARBOXAMIDE
CAS No: 57841-90-4 Catalog No: AG00EJU7 MDL No:MFCD11109824
Product Description
Catalog Number:
AG00EJU7
Chemical Name:
3-IODO-N-PHENYL-2-PYRIDINECARBOXAMIDE
CAS Number:
57841-90-4
Molecular Formula:
C12H9IN2O
Molecular Weight:
324.1171
MDL Number:
MFCD11109824
IUPAC Name:
3-iodo-N-phenylpyridine-2-carboxamide
InChI:
InChI=1S/C12H9IN2O/c13-10-7-4-8-14-11(10)12(16)15-9-5-2-1-3-6-9/h1-8H,(H,15,16)
InChI Key:
DZJRPHHTMVPHBE-UHFFFAOYSA-N
SMILES:
O=C(c1ncccc1I)Nc1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.976g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.121g/mol
Monoisotopic Mass:
323.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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