Name: Name:Benzeneethanamine,4-(difluoromethoxy)-
Brand: Angene
SKU: AG0055HP
Rating: 90 (10 reviews)

Benzeneethanamine,4-(difluoromethoxy)-

CAS No.:

771581-14-7

Catalog Number:

AG0055HP

Molecular Formula:

C9H11F2NO

Molecular Weight:

187.1865

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Product Description

Catalog Number:

AG0055HP

Chemical Name:

Benzeneethanamine,4-(difluoromethoxy)-

CAS Number:

771581-14-7

Molecular Formula:

C9H11F2NO

Molecular Weight:

187.1865

MDL Number:

MFCD06212915

IUPAC Name:

2-[4-(difluoromethoxy)phenyl]ethanamine

InChI:

InChI=1S/C9H11F2NO/c10-9(11)13-8-3-1-7(2-4-8)5-6-12/h1-4,9H,5-6,12H2

InChI Key:

QVANIQIFGOVCFT-UHFFFAOYSA-N

SMILES:

NCCc1ccc(cc1)OC(F)F

Properties

Complexity:

136

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

187.081g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

187.19g/mol

Monoisotopic Mass:

187.081g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

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

Properties