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100075-58-9 | Benzoic acid, 2-[[[(1-methylethyl)amino]carbonyl]amino]-, methyl ester
CAS No: 100075-58-9 Catalog No: AG0000TW MDL No:
Product Description
Catalog Number:
AG0000TW
Chemical Name:
Benzoic acid, 2-[[[(1-methylethyl)amino]carbonyl]amino]-, methyl ester
CAS Number:
100075-58-9
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
IUPAC Name:
methyl 2-(propan-2-ylcarbamoylamino)benzoate
InChI:
InChI=1S/C12H16N2O3/c1-8(2)13-12(16)14-10-7-5-4-6-9(10)11(15)17-3/h4-8H,1-3H3,(H2,13,14,16)
InChI Key:
MZBHWUSZUUSAKL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1NC(=O)NC(C)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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