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88044-54-6 | Pyridinium, 1-(2-chloro-2-butenyl)-, chloride
CAS No: 88044-54-6 Catalog No: AG004G3Z MDL No:
Product Description
Catalog Number:
AG004G3Z
Chemical Name:
Pyridinium, 1-(2-chloro-2-butenyl)-, chloride
CAS Number:
88044-54-6
Molecular Formula:
C9H11Cl2N
Molecular Weight:
204.0963
IUPAC Name:
1-(2-chlorobut-2-enyl)pyridin-1-ium;chloride
InChI:
InChI=1S/C9H11ClN.ClH/c1-2-9(10)8-11-6-4-3-5-7-11;/h2-7H,8H2,1H3;1H/q+1;/p-1
InChI Key:
VPINXIWWXZXJCA-UHFFFAOYSA-M
SMILES:
CC=C(C[n+]1ccccc1)Cl.[Cl-]
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.094g/mol
Monoisotopic Mass:
203.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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