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14803-74-8 | Carbamic acid, 1,2-phenylenebis-, dimethyl ester (9CI)
CAS No: 14803-74-8 Catalog No: AG001FDG MDL No:
Product Description
Catalog Number:
AG001FDG
Chemical Name:
Carbamic acid, 1,2-phenylenebis-, dimethyl ester (9CI)
CAS Number:
14803-74-8
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
IUPAC Name:
methyl N-[2-(methoxycarbonylamino)phenyl]carbamate
InChI:
InChI=1S/C10H12N2O4/c1-15-9(13)11-7-5-3-4-6-8(7)12-10(14)16-2/h3-6H,1-2H3,(H,11,13)(H,12,14)
InChI Key:
GTVVGJHYDWSUHA-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1ccccc1NC(=O)OC
NSC Number:
81866
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.216g/mol
Monoisotopic Mass:
224.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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