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126147-86-2 | 2,1,3-Benzoxadiazole-5-carbonylchloride
CAS No: 126147-86-2 Catalog No: AG000RSA MDL No:MFCD00276978
Product Description
Catalog Number:
AG000RSA
Chemical Name:
2,1,3-Benzoxadiazole-5-carbonylchloride
CAS Number:
126147-86-2
Molecular Formula:
C7H3ClN2O2
Molecular Weight:
182.5639
MDL Number:
MFCD00276978
IUPAC Name:
2,1,3-benzoxadiazole-5-carbonyl chloride
InChI:
InChI=1S/C7H3ClN2O2/c8-7(11)4-1-2-5-6(3-4)10-12-9-5/h1-3H
InChI Key:
ODCMBRSQNVPDOK-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc2c(c1)non2
EC Number:
927-593-7
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.988g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.563g/mol
Monoisotopic Mass:
181.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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