Home Halogens 1H-Indole-2-carboxylicacid, 5-bromo-3-methyl-

1H-Indole-2-carboxylicacid, 5-bromo-3-methyl-

CAS No.:
70070-32-5
Catalog Number:
AG005G9F
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
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Product Description
Catalog Number:
AG005G9F
Chemical Name:
1H-Indole-2-carboxylicacid, 5-bromo-3-methyl-
CAS Number:
70070-32-5
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD01366202
IUPAC Name:
5-bromo-3-methyl-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C10H8BrNO2/c1-5-7-4-6(11)2-3-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14)
InChI Key:
YUMRTSLYUVLHQK-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(C)c([nH]2)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:
2  
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties