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1934583-36-4 | 2,2-difluoro-2-(4-hydroxyazepan-4-yl)acetic acid
CAS No: 1934583-36-4 Catalog No: AG01BH4K MDL No:
Product Description
Catalog Number:
AG01BH4K
Chemical Name:
2,2-difluoro-2-(4-hydroxyazepan-4-yl)acetic acid
CAS Number:
1934583-36-4
Molecular Formula:
C8H13F2NO3
Molecular Weight:
209.1905
IUPAC Name:
2,2-difluoro-2-(4-hydroxyazepan-4-yl)acetic acid
InChI:
InChI=1S/C8H13F2NO3/c9-8(10,6(12)13)7(14)2-1-4-11-5-3-7/h11,14H,1-5H2,(H,12,13)
InChI Key:
HVODJZVXFKLVMX-UHFFFAOYSA-N
SMILES:
OC(=O)C(C1(O)CCNCCC1)(F)F
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
209.193g/mol
Monoisotopic Mass:
209.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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