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Home > Quinoline > 199480-42-7
199480-42-7 | 2(1H)-Isoquinolinecarbonyl chloride, 3,4-dihydro-
CAS No: 199480-42-7 Catalog No: AG002C5M MDL No:MFCD13174297
Product Description
Catalog Number:
AG002C5M
Chemical Name:
2(1H)-Isoquinolinecarbonyl chloride, 3,4-dihydro-
CAS Number:
199480-42-7
Molecular Formula:
C10H10ClNO
Molecular Weight:
195.6455
MDL Number:
MFCD13174297
IUPAC Name:
3,4-dihydro-1H-isoquinoline-2-carbonyl chloride
InChI:
InChI=1S/C10H10ClNO/c11-10(13)12-6-5-8-3-1-2-4-9(8)7-12/h1-4H,5-7H2
InChI Key:
ICQJONGSPSQPOH-UHFFFAOYSA-N
SMILES:
ClC(=O)N1CCc2c(C1)cccc2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.646g/mol
Monoisotopic Mass:
195.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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