2-(3,3-Difluoropyrrolidin-1-yl)benzoic Acid - CAS 1892772-00-7
Catalog: |
BB068681 |
Product Name: |
2-(3,3-Difluoropyrrolidin-1-yl)benzoic Acid |
CAS: |
1892772-00-7 |
Synonyms: |
Benzoic acid, 2- (3, 3- difluoro- 1- pyrrolidinyl) - |
IUPAC Name: | 2-(3,3-difluoropyrrolidin-1-yl)benzoic acid |
Molecular Weight: | 227.21 |
Molecular Formula: | C11H11F2NO2 |
Canonical SMILES: | C1CN(CC1(F)F)C2=CC=CC=C2C(=O)O |
InChI: | InChI=1S/C11H11F2NO2/c12-11(13)5-6-14(7-11)9-4-2-1-3-8(9)10(15)16/h1-4H,5-7H2,(H,15,16) |
InChI Key: | HHZRKCBVZVZDIG-UHFFFAOYSA-N |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.07578492 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.07578492 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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