Name: Name:2-chloro-1-(1-methanesulfonyl-1,2,3,4-tetrahydroquinolin-6-yl)ethan-1-one
Brand: Angene
SKU: AG019NXP
Rating: 90 (10 reviews)

2-chloro-1-(1-methanesulfonyl-1,2,3,4-tetrahydroquinolin-6-yl)ethan-1-one

CAS No.:

851721-90-9

Catalog Number:

AG019NXP

Molecular Formula:

C12H14ClNO3S

Molecular Weight:

287.7625

Catalog Number:

AG019NXP

Chemical Name:

2-chloro-1-(1-methanesulfonyl-1,2,3,4-tetrahydroquinolin-6-yl)ethan-1-one

CAS Number:

851721-90-9

Molecular Formula:

C12H14ClNO3S

Molecular Weight:

287.7625

MDL Number:

MFCD06382837

IUPAC Name:

2-chloro-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone

InChI:

InChI=1S/C12H14ClNO3S/c1-18(16,17)14-6-2-3-9-7-10(12(15)8-13)4-5-11(9)14/h4-5,7H,2-3,6,8H2,1H3

InChI Key:

XODMWNSSCCESPB-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)C

Complexity:

418

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

287.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

287.758g/mol

Monoisotopic Mass:

287.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8