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112160-39-1 | 2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride
CAS No: 112160-39-1 Catalog No: AG003F8H MDL No:MFCD00065693
Product Description
Catalog Number:
AG003F8H
Chemical Name:
2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride
CAS Number:
112160-39-1
Molecular Formula:
C14H19ClO3S
Molecular Weight:
302.8169
MDL Number:
MFCD00065693
IUPAC Name:
2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonyl chloride
InChI:
InChI=1S/C14H19ClO3S/c1-8-9(2)13(19(15,16)17)10(3)11-6-7-14(4,5)18-12(8)11/h6-7H2,1-5H3
InChI Key:
UXUOVYKDMGFUDU-UHFFFAOYSA-N
SMILES:
Cc1c2OC(C)(C)CCc2c(c(c1C)S(=O)(=O)Cl)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.813g/mol
Monoisotopic Mass:
302.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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