Name: Name:1-(3-chlorophenyl)-3-methylcyclobutane-1-carboxylic acid, Mixture of isomers
Brand: Angene
SKU: AG01B9NZ
Rating: 90 (10 reviews)

1-(3-chlorophenyl)-3-methylcyclobutane-1-carboxylic acid, Mixture of isomers

CAS No.:

1340521-86-9

Catalog Number:

AG01B9NZ

Molecular Formula:

C12H13ClO2

Molecular Weight:

224.6834

Catalog Number:

AG01B9NZ

Chemical Name:

1-(3-chlorophenyl)-3-methylcyclobutane-1-carboxylic acid, Mixture of isomers

CAS Number:

1340521-86-9

Molecular Formula:

C12H13ClO2

Molecular Weight:

224.6834

MDL Number:

MFCD19683115

IUPAC Name:

1-(3-chlorophenyl)-3-methylcyclobutane-1-carboxylic acid

InChI:

InChI=1S/C12H13ClO2/c1-8-6-12(7-8,11(14)15)9-3-2-4-10(13)5-9/h2-5,8H,6-7H2,1H3,(H,14,15)

InChI Key:

OHQPZEVVNQCJFI-UHFFFAOYSA-N

SMILES:

CC1CC(C1)(C(=O)O)c1cccc(c1)Cl

Complexity:

258

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.06g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.684g/mol

Monoisotopic Mass:

224.06g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2