Name: Name:3-cyclopropylmethanesulfonyl-2,6-difluorobenzoic acid
Brand: Angene
SKU: AG01C4M3
Rating: 90 (10 reviews)

3-cyclopropylmethanesulfonyl-2,6-difluorobenzoic acid

CAS No.:

1156165-34-2

Catalog Number:

AG01C4M3

Molecular Formula:

C11H10F2O4S

Molecular Weight:

276.2565

Catalog Number:

AG01C4M3

Chemical Name:

3-cyclopropylmethanesulfonyl-2,6-difluorobenzoic acid

CAS Number:

1156165-34-2

Molecular Formula:

C11H10F2O4S

Molecular Weight:

276.2565

MDL Number:

MFCD12077057

IUPAC Name:

3-(cyclopropylmethylsulfonyl)-2,6-difluorobenzoic acid

InChI:

InChI=1S/C11H10F2O4S/c12-7-3-4-8(10(13)9(7)11(14)15)18(16,17)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,14,15)

InChI Key:

YYSRQXXGQHIJBB-UHFFFAOYSA-N

SMILES:

OC(=O)c1c(F)ccc(c1F)S(=O)(=O)CC1CC1

Complexity:

427

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

276.027g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

276.254g/mol

Monoisotopic Mass:

276.027g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6