Home Halogens tert-butyl 4-bromo-3-(hydroxymethyl)indole-1-carboxylate

tert-butyl 4-bromo-3-(hydroxymethyl)indole-1-carboxylate

CAS No.:
914349-05-6
Catalog Number:
AG00IGOA
Molecular Formula:
C14H16BrNO3
Molecular Weight:
326.1857
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Product Description
Catalog Number:
AG00IGOA
Chemical Name:
tert-butyl 4-bromo-3-(hydroxymethyl)indole-1-carboxylate
CAS Number:
914349-05-6
Molecular Formula:
C14H16BrNO3
Molecular Weight:
326.1857
MDL Number:
MFCD29918560
IUPAC Name:
tert-butyl 4-bromo-3-(hydroxymethyl)indole-1-carboxylate
InChI:
InChI=1S/C14H16BrNO3/c1-14(2,3)19-13(18)16-7-9(8-17)12-10(15)5-4-6-11(12)16/h4-7,17H,8H2,1-3H3
InChI Key:
QWJQFTZLGZCFNQ-UHFFFAOYSA-N
SMILES:
OCc1cn(c2c1c(Br)ccc2)C(=O)OC(C)(C)C
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.031g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
326.19g/mol
Monoisotopic Mass:
325.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties