Name: Name:2-(3-Chloro-4-fluorophenyl)-4,4-dimethyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
Brand: Angene
SKU: AG00HU38
Rating: 90 (10 reviews)

2-(3-Chloro-4-fluorophenyl)-4,4-dimethyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

CAS No.:

1353971-43-3

Catalog Number:

AG00HU38

Molecular Formula:

C18H17ClFNO2

Molecular Weight:

333.7845

Catalog Number:

AG00HU38

Chemical Name:

2-(3-Chloro-4-fluorophenyl)-4,4-dimethyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

CAS Number:

1353971-43-3

Molecular Formula:

C18H17ClFNO2

Molecular Weight:

333.7845

MDL Number:

MFCD28502401

IUPAC Name:

2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxylic acid

InChI:

InChI=1S/C18H17ClFNO2/c1-18(2)9-16(10-3-5-14(20)13(19)8-10)21-15-6-4-11(17(22)23)7-12(15)18/h3-8,16,21H,9H2,1-2H3,(H,22,23)

InChI Key:

MCYNICKTSTXAFH-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc2c(c1)C(C)(C)CC(N2)c1ccc(c(c1)Cl)F

Complexity:

458

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

333.093g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

333.787g/mol

Monoisotopic Mass:

333.093g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: