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Home Halogens tert-Butyl 4-chloro-2-(hydroxymethyl)-1h-indole-1-carboxylate

tert-Butyl 4-chloro-2-(hydroxymethyl)-1h-indole-1-carboxylate

CAS No.:
870535-27-6
Catalog Number:
AG00IEBZ
Molecular Formula:
C14H16ClNO3
Molecular Weight:
281.7347
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$32
- +
1g
95%
In Stock USA
United States
$62
- +
Product Description
Catalog Number:
AG00IEBZ
Chemical Name:
tert-Butyl 4-chloro-2-(hydroxymethyl)-1h-indole-1-carboxylate
CAS Number:
870535-27-6
Molecular Formula:
C14H16ClNO3
Molecular Weight:
281.7347
MDL Number:
MFCD30489086
IUPAC Name:
tert-butyl 4-chloro-2-(hydroxymethyl)indole-1-carboxylate
InChI:
InChI=1S/C14H16ClNO3/c1-14(2,3)19-13(18)16-9(8-17)7-10-11(15)5-4-6-12(10)16/h4-7,17H,8H2,1-3H3
InChI Key:
MJELCIINMGHXDG-UHFFFAOYSA-N
SMILES:
OCc1cc2c(n1C(=O)OC(C)(C)C)cccc2Cl
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.082g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.736g/mol
Monoisotopic Mass:
281.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties