Name: Name:2-methoxy-N-(2,2,2-trifluoroethyl)aniline
Brand: Angene
SKU: AG019OVQ
Rating: 90 (10 reviews)

2-methoxy-N-(2,2,2-trifluoroethyl)aniline

CAS No.:

398-44-7

Catalog Number:

AG019OVQ

Molecular Formula:

C9H10F3NO

Molecular Weight:

205.1770

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Product Description

Catalog Number:

AG019OVQ

Chemical Name:

2-methoxy-N-(2,2,2-trifluoroethyl)aniline

CAS Number:

398-44-7

Molecular Formula:

C9H10F3NO

Molecular Weight:

205.1770

MDL Number:

MFCD07852064

IUPAC Name:

2-methoxy-N-(2,2,2-trifluoroethyl)aniline

InChI:

InChI=1S/C9H10F3NO/c1-14-8-5-3-2-4-7(8)13-6-9(10,11)12/h2-5,13H,6H2,1H3

InChI Key:

UEHTVWWJHJAJEG-UHFFFAOYSA-N

SMILES:

COc1ccccc1NCC(F)(F)F

Properties

Complexity:

172

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

205.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.18g/mol

Monoisotopic Mass:

205.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

21.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101