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100282-49-3,MFCD07127725
Catalog No.:AA0001E6
100282-49-3 | Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester (9CI)
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
2 weeks  
$244.00
- +
1g
98%
2 weeks  
$374.00
- +
5g
98%
2 weeks  
$803.00
- +
10g
98%
2 weeks  
$1,177.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0001E6
Chemical Name:
Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester (9CI)
CAS Number:
100282-49-3
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
MDL Number:
MFCD07127725
IUPAC Name:
tert-butyl N-(3-chloro-4-methylphenyl)carbamate
InChI:
InChI=1S/C12H16ClNO2/c1-8-5-6-9(7-10(8)13)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChI Key:
VPYCRWKAAFUDHE-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(c(c1)Cl)C
Properties
Computed Properties
 
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.087g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.715g/mol
Monoisotopic Mass:
241.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

Synonyms
 
100282-49-3 
Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester 
tert-butyl N-(3-chloro-4-methylphenyl)carbamate 
N-(tert-butoxycarbonyl)-3-chloro-4-methylaniline 
Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester (9CI) 
ZINC07610503 
CID4935491 
AC1NKBQM 
ACMC-20m3cc 
1,1-dimethylethyl (3-chloro-4-methylphenyl)carbamate 
SCHEMBL6490343 
CTK0G8949 
DTXSID70406853 
VPYCRWKAAFUDHE-UHFFFAOYSA-N 
AKOS003477313 
Literature
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