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Home Other Building Blocks Benzoic acid, 4-(fluoromethyl)-

Benzoic acid, 4-(fluoromethyl)-

CAS No.:
118507-45-2
Catalog Number:
AG000IYK
Molecular Formula:
C8H7FO2
Molecular Weight:
154.1384
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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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.043g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.14g/mol
Monoisotopic Mass:
154.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
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
Properties