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15862-82-5 | 2H-Pyrrolium, 5-chloro-3,4-dihydro-1-methyl-, chloride (1:1)
CAS No: 15862-82-5 Catalog No: AG001QCY MDL No:
Product Description
Catalog Number:
AG001QCY
Chemical Name:
2H-Pyrrolium, 5-chloro-3,4-dihydro-1-methyl-, chloride (1:1)
CAS Number:
15862-82-5
Molecular Formula:
C5H9Cl2N
Molecular Weight:
154.0377
IUPAC Name:
5-chloro-1-methyl-3,4-dihydro-2H-pyrrol-1-ium;chloride
InChI:
InChI=1S/C5H9ClN.ClH/c1-7-4-2-3-5(7)6;/h2-4H2,1H3;1H/q+1;/p-1
InChI Key:
RIEHWKKLONJMMY-UHFFFAOYSA-M
SMILES:
C[N+]1=C(Cl)CCC1.[Cl-]
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.011g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.034g/mol
Monoisotopic Mass:
153.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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