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113707-85-0

113707-85-0 | 2H-1-Benzopyran-7-diazonium, 4-methyl-2-oxo-, chloride (1:1)

CAS No: 113707-85-0 Catalog No: AG0009FF MDL No:

Product Description

Catalog Number:
AG0009FF
Chemical Name:
2H-1-Benzopyran-7-diazonium, 4-methyl-2-oxo-, chloride (1:1)
CAS Number:
113707-85-0
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
IUPAC Name:
4-methyl-2-oxochromene-7-diazonium;chloride
InChI:
InChI=1S/C10H7N2O2.ClH/c1-6-4-10(13)14-9-5-7(12-11)2-3-8(6)9;/h2-5H,1H3;1H/q+1;/p-1
InChI Key:
VILBELCCTZGRDH-UHFFFAOYSA-M
SMILES:
Cc1cc(=O)oc2c1ccc(c2)[N+]#N.[Cl-]

Properties

Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.02g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.628g/mol
Monoisotopic Mass:
222.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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