Name: Name:1-(2-CHLORO-6-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACID, 97
Brand: Angene
SKU: AG00C1UM
Rating: 90 (10 reviews)

1-(2-CHLORO-6-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACID, 97

CAS No.:

214263-04-4

Catalog Number:

AG00C1UM

Molecular Formula:

C13H14ClFO2

Molecular Weight:

256.7005

Catalog Number:

AG00C1UM

Chemical Name:

1-(2-CHLORO-6-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACID, 97

CAS Number:

214263-04-4

Molecular Formula:

C13H14ClFO2

Molecular Weight:

256.7005

MDL Number:

MFCD00800631

IUPAC Name:

1-(2-chloro-6-fluorophenyl)cyclohexane-1-carboxylic acid

InChI:

InChI=1S/C13H14ClFO2/c14-9-5-4-6-10(15)11(9)13(12(16)17)7-2-1-3-8-13/h4-6H,1-3,7-8H2,(H,16,17)

InChI Key:

YOCRQRLRAGTUCP-UHFFFAOYSA-N

SMILES:

Fc1cccc(c1C1(CCCCC1)C(=O)O)Cl

Complexity:

289

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

256.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

256.701g/mol

Monoisotopic Mass:

256.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1