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115868-91-2 | Benzenaminium, 3-(ethoxycarbonyl)-N,N,N-trimethyl-, chloride (1:1)
CAS No: 115868-91-2 Catalog No: AG000GZD MDL No:
Product Description
Catalog Number:
AG000GZD
Chemical Name:
Benzenaminium, 3-(ethoxycarbonyl)-N,N,N-trimethyl-, chloride (1:1)
CAS Number:
115868-91-2
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
IUPAC Name:
(3-ethoxycarbonylphenyl)-trimethylazanium;chloride
InChI:
InChI=1S/C12H18NO2.ClH/c1-5-15-12(14)10-7-6-8-11(9-10)13(2,3)4;/h6-9H,5H2,1-4H3;1H/q+1;/p-1
InChI Key:
LGBVVCIPQFMTQI-UHFFFAOYSA-M
SMILES:
CCOC(=O)c1cccc(c1)[N+](C)(C)C.[Cl-]
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.731g/mol
Monoisotopic Mass:
243.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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