Name: Name:Benzoic acid, 3-chloro-4-(1,1-dimethylethyl)-
Brand: Angene
SKU: AG001NDU
Rating: 90 (10 reviews)

Benzoic acid, 3-chloro-4-(1,1-dimethylethyl)-

CAS No.:

1515-20-4

Catalog Number:

AG001NDU

Molecular Formula:

C11H13ClO2

Molecular Weight:

212.6727

Catalog Number:

AG001NDU

Chemical Name:

Benzoic acid, 3-chloro-4-(1,1-dimethylethyl)-

CAS Number:

1515-20-4

Molecular Formula:

C11H13ClO2

Molecular Weight:

212.6727

MDL Number:

MFCD22054675

IUPAC Name:

4-tert-butyl-3-chlorobenzoic acid

InChI:

InChI=1S/C11H13ClO2/c1-11(2,3)8-5-4-7(10(13)14)6-9(8)12/h4-6H,1-3H3,(H,13,14)

InChI Key:

COFPPRDWGOZYBP-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(c(c1)Cl)C(C)(C)C

Complexity:

220

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.06g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.673g/mol

Monoisotopic Mass:

212.06g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7