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1267981-28-1 | Isoquinoline, 7-chloro-1,2,3,4-tetrahydro-4,4-dimethyl-
CAS No: 1267981-28-1 Catalog No: AG000T91 MDL No:
Product Description
Catalog Number:
AG000T91
Chemical Name:
Isoquinoline, 7-chloro-1,2,3,4-tetrahydro-4,4-dimethyl-
CAS Number:
1267981-28-1
Molecular Formula:
C11H14ClN
Molecular Weight:
195.6886
IUPAC Name:
7-chloro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
InChI:
InChI=1S/C11H14ClN/c1-11(2)7-13-6-8-5-9(12)3-4-10(8)11/h3-5,13H,6-7H2,1-2H3
InChI Key:
OWWBFYGJOPKZHC-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)CNCC2(C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.081g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.69g/mol
Monoisotopic Mass:
195.081g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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