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209286-73-7

209286-73-7 | Isoquinoline, 1-chloro-6-methyl-

CAS No: 209286-73-7 Catalog No: AG002K66 MDL No:MFCD11110400

Product Description

Catalog Number:
AG002K66
Chemical Name:
Isoquinoline, 1-chloro-6-methyl-
CAS Number:
209286-73-7
Molecular Formula:
C10H8ClN
Molecular Weight:
177.6302
MDL Number:
MFCD11110400
IUPAC Name:
1-chloro-6-methylisoquinoline
InChI:
InChI=1S/C10H8ClN/c1-7-2-3-9-8(6-7)4-5-12-10(9)11/h2-6H,1H3
InChI Key:
VBKBNFQWNBALDD-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)ccnc2Cl

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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