Home Other Building Blocks 2,2-difluoro-2-(3-formylphenoxy)acetic acid

2,2-difluoro-2-(3-formylphenoxy)acetic acid

CAS No.:
1153778-64-3
Catalog Number:
AG01AGM4
Molecular Formula:
C9H6F2O4
Molecular Weight:
216.1383
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Product Description
Catalog Number:
AG01AGM4
Chemical Name:
2,2-difluoro-2-(3-formylphenoxy)acetic acid
CAS Number:
1153778-64-3
Molecular Formula:
C9H6F2O4
Molecular Weight:
216.1383
MDL Number:
MFCD12106328
IUPAC Name:
2,2-difluoro-2-(3-formylphenoxy)acetic acid
InChI:
InChI=1S/C9H6F2O4/c10-9(11,8(13)14)15-7-3-1-2-6(4-7)5-12/h1-5H,(H,13,14)
InChI Key:
HWJMEHPPCSMHQO-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)OC(C(=O)O)(F)F
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.023g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.14g/mol
Monoisotopic Mass:
216.023g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties