Home Amines 1000698-88-3
1000698-88-3,MFCD12913719
Catalog No.:AA0000Q3
Carbamic acid, N-(2-amino-4,5-difluorophenyl)-, 1,1-dimethylethyl ester | 1000698-88-3
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100mg
97%
1 week  
$111.00
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250mg
97%
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$177.00
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Technical Information
Catalog Number:
AA0000Q3
Chemical Name:
Carbamic acid, N-(2-amino-4,5-difluorophenyl)-, 1,1-dimethylethyl ester
CAS Number:
1000698-88-3
Molecular Formula:
C11H14F2N2O2
Molecular Weight:
244.2379
MDL Number:
MFCD12913719
IUPAC Name:
tert-butyl N-(2-amino-4,5-difluorophenyl)carbamate
InChI:
InChI=1S/C11H14F2N2O2/c1-11(2,3)17-10(16)15-9-5-7(13)6(12)4-8(9)14/h4-5H,14H2,1-3H3,(H,15,16)
InChI Key:
NYKTXVPUGXBLOK-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(F)c(cc1N)F)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.102g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
244.242g/mol
Monoisotopic Mass:
244.102g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
tert-Butyl (2-amino-4,5-difluorophenyl)carbamate 
1000698-88-3 
DS-8321 
FCH1624423 
AJ-122206 
AX8289772 
tert-butyl N-(2-amino-4,5-difluorophenyl)carbamate 
Carbamic acid, N-(2-amino-4,5-difluorophenyl)-, 1,1-dimethylethyl ester 
C11H14F2N2O2 
(2-Amino-4,5-difluoro-phenyl)-carbamic acid tert-butyl ester 
AK155184 
SCHEMBL197226 
NYKTXVPUGXBLOK-UHFFFAOYSA-N 
4517AJ 
MFCD12913719 
ZINC76859312 
AKOS023229162 
Literature
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