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10145-04-7,MFCD09042070
Catalog No.:AA0004FR
10145-04-7 | Benzenemethanol, α-(aminomethyl)-3,4-difluoro-
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Technical Information
Catalog Number:
AA0004FR
Chemical Name:
Benzenemethanol, α-(aminomethyl)-3,4-difluoro-
CAS Number:
10145-04-7
Molecular Formula:
C8H9F2NO
Molecular Weight:
173.1600
MDL Number:
MFCD09042070
IUPAC Name:
2-amino-1-(3,4-difluorophenyl)ethanol
InChI:
InChI=1S/C8H9F2NO/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8,12H,4,11H2
InChI Key:
CXJWXUGRWAXKAF-UHFFFAOYSA-N
SMILES:
NCC(c1ccc(c(c1)F)F)O
Properties
Computed Properties
 
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.065g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
173.163g/mol
Monoisotopic Mass:
173.065g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  

Synonyms
 
2-amino-1-(3,4-difluorophenyl)ethanol 
10145-04-7 
CTK3J9802 
DTXSID90588049 
CXJWXUGRWAXKAF-UHFFFAOYSA-N 
MFCD09042070 
AKOS000124033 
AKOS016051391 
MCULE-6569064980 
NE60135 
2-amino-1-(3,4-difluorophenyl)-ethanol 
2-amino-1-(3,4-difluoro-phenyl)-ethanol 
2-amino-1-(3,4-difluorophenyl)ethan-1-ol 
EN300-36696 
Benzenemethanol, alpha-(aminomethyl)-3,4-difluoro- 
2-Amino-1-(3,4-difluorophenyl)ethanol HCl 
(1R)-2-Amino-1-(3,4-difluorophenyl)ethan-1-ol 
(1S)-2-amino-1-(3,4-difluorophenyl)ethan-1-ol 
2-Amino-1-[3,4-difluorophenyl]ethanol 
1568043-56-0 
1568233-93-1 
AC1Q53O8 
SCHEMBL3403672 
Literature
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