Name: Name:tert-butyl 3-(chlorosulfonyl)-4-methoxy-1H-indole-1-carboxylate
Brand: Angene
SKU: AG01EIWY
Rating: 90 (10 reviews)

tert-butyl 3-(chlorosulfonyl)-4-methoxy-1H-indole-1-carboxylate

CAS No.:

2138167-25-4

Catalog Number:

AG01EIWY

Molecular Formula:

C14H16ClNO5S

Molecular Weight:

345.7985

Catalog Number:

AG01EIWY

Chemical Name:

tert-butyl 3-(chlorosulfonyl)-4-methoxy-1H-indole-1-carboxylate

CAS Number:

2138167-25-4

Molecular Formula:

C14H16ClNO5S

Molecular Weight:

345.7985

MDL Number:

MFCD31439556

IUPAC Name:

tert-butyl 3-chlorosulfonyl-4-methoxyindole-1-carboxylate

InChI:

InChI=1S/C14H16ClNO5S/c1-14(2,3)21-13(17)16-8-11(22(15,18)19)12-9(16)6-5-7-10(12)20-4/h5-8H,1-4H3

InChI Key:

JMFXCUIPNZUUOG-UHFFFAOYSA-N

SMILES:

COc1cccc2c1c(cn2C(=O)OC(C)(C)C)S(=O)(=O)Cl

Complexity:

524

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

345.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

345.794g/mol

Monoisotopic Mass:

345.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3