Home Aldehydes 1,2,3-Benzothiadiazole-5-carboxaldehyde

1,2,3-Benzothiadiazole-5-carboxaldehyde

CAS No.:
394223-15-5
Catalog Number:
AG00BZD5
Molecular Formula:
C7H4N2OS
Molecular Weight:
164.1845
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Product Description
Catalog Number:
AG00BZD5
Chemical Name:
1,2,3-Benzothiadiazole-5-carboxaldehyde
CAS Number:
394223-15-5
Molecular Formula:
C7H4N2OS
Molecular Weight:
164.1845
MDL Number:
MFCD08690236
IUPAC Name:
1,2,3-benzothiadiazole-5-carbaldehyde
InChI:
InChI=1S/C7H4N2OS/c10-4-5-1-2-7-6(3-5)8-9-11-7/h1-4H
InChI Key:
BWKIBIZZLRPKFY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)nns2
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.004g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.182g/mol
Monoisotopic Mass:
164.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties