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88599-37-5 | Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, methyl ester
CAS No: 88599-37-5 Catalog No: AG004AQV MDL No:
Product Description
Catalog Number:
AG004AQV
Chemical Name:
Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, methyl ester
CAS Number:
88599-37-5
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
IUPAC Name:
methyl 2-carbamoyloxy-5-chlorobenzoate
InChI:
InChI=1S/C9H8ClNO4/c1-14-8(12)6-4-5(10)2-3-7(6)15-9(11)13/h2-4H,1H3,(H2,11,13)
InChI Key:
OOOVIVZJBGEEBJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)ccc1OC(=O)N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.014g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.616g/mol
Monoisotopic Mass:
229.014g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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