Name: Name:2-chloro-5-[(3-methylbutan-2-yl)amino]benzoic acid
Brand: Angene
SKU: AG01AL0O
Rating: 90 (10 reviews)

2-chloro-5-[(3-methylbutan-2-yl)amino]benzoic acid

CAS No.:

1157324-31-6

Catalog Number:

AG01AL0O

Molecular Formula:

C12H16ClNO2

Molecular Weight:

241.7139

Catalog Number:

AG01AL0O

Chemical Name:

2-chloro-5-[(3-methylbutan-2-yl)amino]benzoic acid

CAS Number:

1157324-31-6

Molecular Formula:

C12H16ClNO2

Molecular Weight:

241.7139

MDL Number:

MFCD12042662

IUPAC Name:

2-chloro-5-(3-methylbutan-2-ylamino)benzoic acid

InChI:

InChI=1S/C12H16ClNO2/c1-7(2)8(3)14-9-4-5-11(13)10(6-9)12(15)16/h4-8,14H,1-3H3,(H,15,16)

InChI Key:

AKMSHFJDCRLMAZ-UHFFFAOYSA-N

SMILES:

CC(C(Nc1ccc(c(c1)C(=O)O)Cl)C)C

Complexity:

245

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

241.087g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

241.715g/mol

Monoisotopic Mass:

241.087g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9