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1263378-97-7 | Isoquinoline, 1-(chloromethyl)-, hydrochloride (1:1)
CAS No: 1263378-97-7 Catalog No: AG000SOD MDL No:MFCD18432557
Product Description
Catalog Number:
AG000SOD
Chemical Name:
Isoquinoline, 1-(chloromethyl)-, hydrochloride (1:1)
CAS Number:
1263378-97-7
Molecular Formula:
C10H9Cl2N
Molecular Weight:
214.0912
MDL Number:
MFCD18432557
IUPAC Name:
1-(chloromethyl)isoquinoline;hydrochloride
InChI:
InChI=1S/C10H8ClN.ClH/c11-7-10-9-4-2-1-3-8(9)5-6-12-10;/h1-6H,7H2;1H
InChI Key:
HPJLBPAUOODQNJ-UHFFFAOYSA-N
SMILES:
ClCc1nccc2c1cccc2.Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.011g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.089g/mol
Monoisotopic Mass:
213.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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