Home Halogens Methyl 3-bromoindole-5-carboxylate

Methyl 3-bromoindole-5-carboxylate

CAS No.:
916179-88-9
Catalog Number:
AG003RRL
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$83
- +
5g
97%
In Stock USA
United States
$300
- +
25g
97%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG003RRL
Chemical Name:
Methyl 3-bromoindole-5-carboxylate
CAS Number:
916179-88-9
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD12828702
IUPAC Name:
methyl 3-bromo-1H-indole-5-carboxylate
InChI:
InChI=1S/C10H8BrNO2/c1-14-10(13)6-2-3-9-7(4-6)8(11)5-12-9/h2-5,12H,1H3
InChI Key:
NSZAFPUTJXZLKC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)c(Br)c[nH]2
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.974g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties