Home Aminos 2-amino-1-(3,4-difluorophenyl)propane-1,3-diol

2-amino-1-(3,4-difluorophenyl)propane-1,3-diol

CAS No.:
1496789-36-6
Catalog Number:
AG01ACKJ
Molecular Formula:
C9H11F2NO2
Molecular Weight:
203.1859
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Product Description
Catalog Number:
AG01ACKJ
Chemical Name:
2-amino-1-(3,4-difluorophenyl)propane-1,3-diol
CAS Number:
1496789-36-6
Molecular Formula:
C9H11F2NO2
Molecular Weight:
203.1859
MDL Number:
MFCD21716543
IUPAC Name:
2-amino-1-(3,4-difluorophenyl)propane-1,3-diol
InChI:
InChI=1S/C9H11F2NO2/c10-6-2-1-5(3-7(6)11)9(14)8(12)4-13/h1-3,8-9,13-14H,4,12H2
InChI Key:
AGMZTHCXWXPCFR-UHFFFAOYSA-N
SMILES:
OCC(C(c1ccc(c(c1)F)F)O)N
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.076g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
203.189g/mol
Monoisotopic Mass:
203.076g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties