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Home > Aldehydes > 831196-01-1
831196-01-1 | Hydrazinecarboxaldehyde, 2-(7-chloro-6-fluoro-2-benzothiazolyl)-
CAS No: 831196-01-1 Catalog No: AG005BAW MDL No:
Product Description
Catalog Number:
AG005BAW
Chemical Name:
Hydrazinecarboxaldehyde, 2-(7-chloro-6-fluoro-2-benzothiazolyl)-
CAS Number:
831196-01-1
Molecular Formula:
C8H5ClFN3OS
Molecular Weight:
245.6612
IUPAC Name:
N-[(7-chloro-6-fluoro-1,3-benzothiazol-2-yl)amino]formamide
InChI:
InChI=1S/C8H5ClFN3OS/c9-6-4(10)1-2-5-7(6)15-8(12-5)13-11-3-14/h1-3H,(H,11,14)(H,12,13)
InChI Key:
HGNXJYHGEDJUHJ-UHFFFAOYSA-N
SMILES:
O=CNNc1nc2c(s1)c(Cl)c(cc2)F
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.983g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.656g/mol
Monoisotopic Mass:
244.983g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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