Name: Name:Benzeneacetaldehyde, a-oxo-2-(trifluoromethyl)-,hydrate (1:1)
Brand: Angene
SKU: AG005W4R
Rating: 90 (10 reviews)

Benzeneacetaldehyde, a-oxo-2-(trifluoromethyl)-,hydrate (1:1)

CAS No.:

745783-91-9

Catalog Number:

AG005W4R

Molecular Formula:

C9H7F3O3

Molecular Weight:

220.1453

Catalog Number:

AG005W4R

Chemical Name:

Benzeneacetaldehyde, a-oxo-2-(trifluoromethyl)-,hydrate (1:1)

CAS Number:

745783-91-9

Molecular Formula:

C9H7F3O3

Molecular Weight:

220.1453

MDL Number:

MFCD06801323

IUPAC Name:

2-oxo-2-[2-(trifluoromethyl)phenyl]acetaldehyde;hydrate

InChI:

InChI=1S/C9H5F3O2.H2O/c10-9(11,12)7-4-2-1-3-6(7)8(14)5-13;/h1-5H;1H2

InChI Key:

HBDWKZYNXMESGA-UHFFFAOYSA-N

SMILES:

O=CC(=O)c1ccccc1C(F)(F)F.O

Complexity:

235

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.147g/mol

Monoisotopic Mass:

220.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: