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1013398-58-7 | 1H-Indole, 5-chloro-2,3-dihydro-, hydrochloride (1:1)
CAS No: 1013398-58-7 Catalog No: AG00048Z MDL No:MFCD12761536
Product Description
Catalog Number:
AG00048Z
Chemical Name:
1H-Indole, 5-chloro-2,3-dihydro-, hydrochloride (1:1)
CAS Number:
1013398-58-7
Molecular Formula:
C8H9Cl2N
Molecular Weight:
190.0698
MDL Number:
MFCD12761536
IUPAC Name:
5-chloro-2,3-dihydro-1H-indole;hydrochloride
InChI:
InChI=1S/C8H8ClN.ClH/c9-7-1-2-8-6(5-7)3-4-10-8;/h1-2,5,10H,3-4H2;1H
InChI Key:
PUGXFVNHRAMBQK-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)CCN2.Cl
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.011g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.067g/mol
Monoisotopic Mass:
189.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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