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2028-79-7 | Benzenediazonium, 4-(ethoxycarbonyl)-, chloride (1:1)
CAS No: 2028-79-7 Catalog No: AG0028FU MDL No:
Product Description
Catalog Number:
AG0028FU
Chemical Name:
Benzenediazonium, 4-(ethoxycarbonyl)-, chloride (1:1)
CAS Number:
2028-79-7
Molecular Formula:
C9H9ClN2O2
Molecular Weight:
212.6330
IUPAC Name:
4-ethoxycarbonylbenzenediazonium;chloride
InChI:
InChI=1S/C9H9N2O2.ClH/c1-2-13-9(12)7-3-5-8(11-10)6-4-7;/h3-6H,2H2,1H3;1H/q+1;/p-1
InChI Key:
WHFLPHUXBSSZAL-UHFFFAOYSA-M
SMILES:
CCOC(=O)c1ccc(cc1)[N+]#N.[Cl-]
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.633g/mol
Monoisotopic Mass:
212.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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