Home Carboxys 5-Bromo-1-methyl-1h-indole-3-carboxylic acid

5-Bromo-1-methyl-1h-indole-3-carboxylic acid

CAS No.:
400071-95-6
Catalog Number:
AG00C8MM
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$170
- +
5g
95%
1 week
United States
$434
- +
Product Description
Catalog Number:
AG00C8MM
Chemical Name:
5-Bromo-1-methyl-1h-indole-3-carboxylic acid
CAS Number:
400071-95-6
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD14706162
IUPAC Name:
5-bromo-1-methylindole-3-carboxylic acid
InChI:
InChI=1S/C10H8BrNO2/c1-12-5-8(10(13)14)7-4-6(11)2-3-9(7)12/h2-5H,1H3,(H,13,14)
InChI Key:
WQZLFFJMRKTCMU-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(cn2C)C(=O)O
Properties
Complexity:
246  
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:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties