CAS 118507-45-2 | Benzoic acid, 4-(fluoromethyl)- | CAS Number 118507-45-2

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118507-45-2 | Benzoic acid, 4-(fluoromethyl)-

CAS No: 118507-45-2 Catalog No: AG000IYK MDL No:MFCD20482169

Product Description

Catalog Number:

AG000IYK

Chemical Name:

Benzoic acid, 4-(fluoromethyl)-

CAS Number:

118507-45-2

Molecular Formula:

C8H7FO2

Molecular Weight:

154.1384

MDL Number:

MFCD20482169

IUPAC Name:

4-(fluoromethyl)benzoic acid

InChI:

InChI=1S/C8H7FO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)

InChI Key:

QADXJCSDQCVCIS-UHFFFAOYSA-N

SMILES:

FCc1ccc(cc1)C(=O)O

Properties

Complexity:

139

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

154.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

154.14g/mol

Monoisotopic Mass:

154.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Optimized labeling of NOTA-conjugated octreotide with F-18.	Tumour biology : the journal of the International Society for Oncodevelopmental Biology and Medicine 20120401
Targeted microbubbles for imaging tumor angiogenesis: assessment of whole-body biodistribution with dynamic micro-PET in mice.	Radiology 20081001