Name: Name:2-{1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl}acetic acid
Brand: Angene
SKU: AG01A1MQ
Rating: 90 (10 reviews)

2-{1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl}acetic acid

CAS No.:

1157394-73-4

Catalog Number:

AG01A1MQ

Molecular Formula:

C14H17ClO3S

Molecular Weight:

300.8010

Catalog Number:

AG01A1MQ

Chemical Name:

2-{1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl}acetic acid

CAS Number:

1157394-73-4

Molecular Formula:

C14H17ClO3S

Molecular Weight:

300.8010

MDL Number:

MFCD12748501

IUPAC Name:

2-[1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]acetic acid

InChI:

InChI=1S/C14H17ClO3S/c15-12-5-4-11(19-12)10(16)8-14(9-13(17)18)6-2-1-3-7-14/h4-5H,1-3,6-9H2,(H,17,18)

InChI Key:

WKADSFHQRQDZSI-UHFFFAOYSA-N

SMILES:

O=C(c1ccc(s1)Cl)CC1(CCCCC1)CC(=O)O

Complexity:

353

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

300.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

300.797g/mol

Monoisotopic Mass:

300.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6