Home Amines 1176089-41-0
1176089-41-0,MFCD18651681
Catalog No.:AA003I41
1176089-41-0 | 3-(Boc-amino)-6-fluoro-1h-indazole
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Technical Information
Catalog Number:
AA003I41
Chemical Name:
3-(Boc-amino)-6-fluoro-1h-indazole
CAS Number:
1176089-41-0
Molecular Formula:
C12H14FN3O2
Molecular Weight:
251.2569
MDL Number:
MFCD18651681
IUPAC Name:
tert-butyl N-(6-fluoro-1H-indazol-3-yl)carbamate
InChI:
InChI=1S/C12H14FN3O2/c1-12(2,3)18-11(17)14-10-8-5-4-7(13)6-9(8)15-16-10/h4-6H,1-3H3,(H2,14,15,16,17)
InChI Key:
KDUYTDJDFFONOE-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1n[nH]c2c1ccc(c2)F
Properties
Computed Properties
 
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.107g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.261g/mol
Monoisotopic Mass:
251.107g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Synonyms
 
3-(Boc-amino)-6-fluoro-1H-indazole 
1176089-41-0 
AS-32278 
SY012349 
AJ-128346 
AX8268990 
TC-307255 
Z-4155 
MFCD18651681 (95+%) 
2-Methyl-2-propanyl (6-fluoro-1H-indazol-3-yl)carbamate 
TERT-BUTYL N-(6-FLUORO-1H-INDAZOL-3-YL)CARBAMATE 
carbamic acid,n-(6-fluoro-1h-indazol-3-yl)-,1,1-dimethylethyl ester 
tert-Butyl (6-fluoro-1H-indazol-3-yl)carbamate 
C12H14FN3O2 
849035-77-4 
5700AJ 
MFCD18651681 
ZINC89196007 
AKOS022183205 
FCH1620708 
TRA0083745 
KS-00000A49 
Literature
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