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191024-18-7 | 1,4-Benzodioxin-5-carboxylic acid, 8-amino-7-chloro-2,3-dihydro-, hydrazide
CAS No: 191024-18-7 Catalog No: AG002F0S MDL No:MFCD12407831
Product Description
Catalog Number:
AG002F0S
Chemical Name:
1,4-Benzodioxin-5-carboxylic acid, 8-amino-7-chloro-2,3-dihydro-, hydrazide
CAS Number:
191024-18-7
Molecular Formula:
C9H10ClN3O3
Molecular Weight:
243.6470
MDL Number:
MFCD12407831
IUPAC Name:
5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carbohydrazide
InChI:
InChI=1S/C9H10ClN3O3/c10-5-3-4(9(14)13-12)7-8(6(5)11)16-2-1-15-7/h3H,1-2,11-12H2,(H,13,14)
InChI Key:
MNCUHBFRDGZYTA-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cc(Cl)c(c2c1OCCO2)N
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.647g/mol
Monoisotopic Mass:
243.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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