Name: Name:Benzenecarboximidamide, 4-(trifluoromethyl)-
Brand: Angene
SKU: AG000W9G
Rating: 90 (10 reviews)

Benzenecarboximidamide, 4-(trifluoromethyl)-

CAS No.:

131472-28-1

Catalog Number:

AG000W9G

Molecular Formula:

C8H7F3N2

Molecular Weight:

188.1498

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Product Description

Catalog Number:

AG000W9G

Chemical Name:

Benzenecarboximidamide, 4-(trifluoromethyl)-

CAS Number:

131472-28-1

Molecular Formula:

C8H7F3N2

Molecular Weight:

188.1498

MDL Number:

MFCD05663380

IUPAC Name:

4-(trifluoromethyl)benzenecarboximidamide

InChI:

InChI=1S/C8H7F3N2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)

InChI Key:

XFLGYXVBXUAGQV-UHFFFAOYSA-N

SMILES:

NC(=N)c1ccc(cc1)C(F)(F)F

Properties

Complexity:

192

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

188.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

188.153g/mol

Monoisotopic Mass:

188.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.	Journal of medicinal chemistry 20111124

Properties