Pbf-Cl

CAT: 0926-FP50543-05Size: 100 gDry Ice: NoHazardous: No

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CAT#:0926-FP50543-05Size:100 g

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CAS Number

154445-78-0

Synonyms

2,2,4,6,7-Pentamethyldihydrobenzofuran-5-sulfonyl chloride

MDL Number

MFCD01317847

Smiles

CC1=C (C (=C (C2=C1OC (C2) (C) C) C) S (=O) (=O) Cl) C

Molecular Formula

C13H17ClO3S

Molecular Weight

288.79 g/mol

Controlled

Chemical Information

2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride

CAS Number	154445-78-0
PubChem CID	4172279
IUPAC Name	2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonyl chloride
Molecular Formula	C13H17ClO3S
Molecular Weight	288.79
XLogP	3.7
Topological Polar Surface Area	51.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	426

SMILES

CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)Cl)C

InChI

InChI=1S/C13H17ClO3S/c1-7-8(2)12(18(14,15)16)9(3)10-6-13(4,5)17-11(7)10/h6H2,1-5H3

InChIKey

HLJKUZUILACRPQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 154445-78-0

CID: 4172279

Formula: C13H17ClO3S

MW: 288.79

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.79
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	288.0586933
Monoisotopic Mass	288.0586933
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	426
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes