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88229-19-0 | Benzamide, N-cyclopropyl-2-iodo-
CAS No: 88229-19-0 Catalog No: AG004CXS MDL No:MFCD04070186
Product Description
Catalog Number:
AG004CXS
Chemical Name:
Benzamide, N-cyclopropyl-2-iodo-
CAS Number:
88229-19-0
Molecular Formula:
C10H10INO
Molecular Weight:
287.0970
MDL Number:
MFCD04070186
IUPAC Name:
N-cyclopropyl-2-iodobenzamide
InChI:
InChI=1S/C10H10INO/c11-9-4-2-1-3-8(9)10(13)12-7-5-6-7/h1-4,7H,5-6H2,(H,12,13)
InChI Key:
WWSGALIECDFDFC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1I)NC1CC1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.981g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.1g/mol
Monoisotopic Mass:
286.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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