Home Other Building Blocks 2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetic acid

2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetic acid

CAS No.:
1375473-08-7
Catalog Number:
AG019SCV
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
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Product Description
Catalog Number:
AG019SCV
Chemical Name:
2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetic acid
CAS Number:
1375473-08-7
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
MDL Number:
MFCD08445082
IUPAC Name:
2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetic acid
InChI:
InChI=1S/C9H7F3O3/c1-15-7-3-2-5(10)4-6(7)9(11,12)8(13)14/h2-4H,1H3,(H,13,14)
InChI Key:
SPFGBWKTEVKCCJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(C(=O)O)(F)F)F
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.147g/mol
Monoisotopic Mass:
220.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties