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114341-68-3 | 2H-1-Benzopyran, 2-chloro-3,4-dihydro-2,5,7,8-tetramethyl-
CAS No: 114341-68-3 Catalog No: AG000B41 MDL No:
Product Description
Catalog Number:
AG000B41
Chemical Name:
2H-1-Benzopyran, 2-chloro-3,4-dihydro-2,5,7,8-tetramethyl-
CAS Number:
114341-68-3
Molecular Formula:
C13H17ClO
Molecular Weight:
224.7265
IUPAC Name:
2-chloro-2,5,7,8-tetramethyl-3,4-dihydrochromene
InChI:
InChI=1S/C13H17ClO/c1-8-7-9(2)11-5-6-13(4,14)15-12(11)10(8)3/h7H,5-6H2,1-4H3
InChI Key:
TUNNXNQFIAHSFZ-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1C)OC(CC2)(C)Cl
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.097g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.728g/mol
Monoisotopic Mass:
224.097g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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