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71605-72-6 | 2,1,3-Benzothiadiazole-5-carbaldehyde
CAS No: 71605-72-6 Catalog No: AG0036KA MDL No:MFCD00457949
Product Description
Catalog Number:
AG0036KA
Chemical Name:
2,1,3-Benzothiadiazole-5-carbaldehyde
CAS Number:
71605-72-6
Molecular Formula:
C7H4N2OS
Molecular Weight:
164.1845
MDL Number:
MFCD00457949
IUPAC Name:
2,1,3-benzothiadiazole-5-carbaldehyde
InChI:
InChI=1S/C7H4N2OS/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-4H
InChI Key:
GEFIFDVQYCPLHC-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)nsn2
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
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