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131880-55-2 | 2H-1-Benzopyran-6-sulfonyl chloride, 3,4-dihydro-2,2-dimethyl-
CAS No: 131880-55-2 Catalog No: AG000ZVL MDL No:MFCD03407324
Product Description
Catalog Number:
AG000ZVL
Chemical Name:
2H-1-Benzopyran-6-sulfonyl chloride, 3,4-dihydro-2,2-dimethyl-
CAS Number:
131880-55-2
Molecular Formula:
C11H13ClO3S
Molecular Weight:
260.7371
MDL Number:
MFCD03407324
IUPAC Name:
2,2-dimethyl-3,4-dihydrochromene-6-sulfonyl chloride
InChI:
InChI=1S/C11H13ClO3S/c1-11(2)6-5-8-7-9(16(12,13)14)3-4-10(8)15-11/h3-4,7H,5-6H2,1-2H3
InChI Key:
UUQKIRXYJVLZAJ-UHFFFAOYSA-N
SMILES:
CC1(C)CCc2c(O1)ccc(c2)S(=O)(=O)Cl
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.732g/mol
Monoisotopic Mass:
260.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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