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63-99-0 | 1-(m-Tolyl);urea
CAS No: 63-99-0 Catalog No: AG003S6K MDL No:MFCD00025425
Product Description
Catalog Number:
AG003S6K
Chemical Name:
1-(m-Tolyl);urea
CAS Number:
63-99-0
Molecular Formula:
C8H10N2O
Molecular Weight:
150.1778
MDL Number:
MFCD00025425
IUPAC Name:
(3-methylphenyl)urea
InChI:
InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChI Key:
UVQVMNIYFXZXCI-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1cccc(c1)C
EC Number:
200-571-8
UNII:
UV03U47557
NSC Number:
2177
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
150.181g/mol
Monoisotopic Mass:
150.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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