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148703-26-8 | 1,4-Benzodioxin-5-carboxylic acid, 8-amino-7-chloro-2,3-dihydro-
CAS No: 148703-26-8 Catalog No: AG001L5I MDL No:MFCD22041968
Product Description
Catalog Number:
AG001L5I
Chemical Name:
1,4-Benzodioxin-5-carboxylic acid, 8-amino-7-chloro-2,3-dihydro-
CAS Number:
148703-26-8
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
MDL Number:
MFCD22041968
IUPAC Name:
5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid
InChI:
InChI=1S/C9H8ClNO4/c10-5-3-4(9(12)13)7-8(6(5)11)15-2-1-14-7/h3H,1-2,11H2,(H,12,13)
InChI Key:
KGEWUGWPCVDMCP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Cl)c(c2c1OCCO2)N
Properties
Complexity:
263
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:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.616g/mol
Monoisotopic Mass:
229.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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