Name: Name:Benzoic acid, 3,5-difluoro-2,6-dimethoxy-4-[(phenylmethyl)amino]-
Brand: Angene
SKU: AG00IBGQ
Rating: 90 (10 reviews)

Benzoic acid, 3,5-difluoro-2,6-dimethoxy-4-[(phenylmethyl)amino]-

CAS No.:

651734-52-0

Catalog Number:

AG00IBGQ

Molecular Formula:

C16H15F2NO4

Molecular Weight:

323.2914

Catalog Number:

AG00IBGQ

Chemical Name:

Benzoic acid, 3,5-difluoro-2,6-dimethoxy-4-[(phenylmethyl)amino]-

CAS Number:

651734-52-0

Molecular Formula:

C16H15F2NO4

Molecular Weight:

323.2914

MDL Number:

MFCD29047016

IUPAC Name:

4-(benzylamino)-3,5-difluoro-2,6-dimethoxybenzoic acid

InChI:

InChI=1S/C16H15F2NO4/c1-22-14-10(16(20)21)15(23-2)12(18)13(11(14)17)19-8-9-6-4-3-5-7-9/h3-7,19H,8H2,1-2H3,(H,20,21)

InChI Key:

WJARTJXTFKFRFB-UHFFFAOYSA-N

SMILES:

COc1c(F)c(NCc2ccccc2)c(c(c1C(=O)O)OC)F

Complexity:

374

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

323.097g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

323.296g/mol

Monoisotopic Mass:

323.097g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1