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174873-81-5 | 1-Chrolo-8-Methylisoquinoline
CAS No: 174873-81-5 Catalog No: AG00AR7G MDL No:MFCD14702550
Product Description
Catalog Number:
AG00AR7G
Chemical Name:
1-Chrolo-8-Methylisoquinoline
CAS Number:
174873-81-5
Molecular Formula:
C10H8ClN
Molecular Weight:
177.6302
MDL Number:
MFCD14702550
IUPAC Name:
1-chloro-8-methylisoquinoline
InChI:
InChI=1S/C10H8ClN/c1-7-3-2-4-8-5-6-12-10(11)9(7)8/h2-6H,1H3
InChI Key:
NUJXXDFSXKXXLS-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1c(Cl)ncc2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.631g/mol
Monoisotopic Mass:
177.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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