Home Halogens Methyl 6-bromo-3-formyl-1H-indole-4-carboxylate

Methyl 6-bromo-3-formyl-1H-indole-4-carboxylate

CAS No.:
1353636-63-1
Catalog Number:
AG00HU1M
Molecular Formula:
C11H8BrNO3
Molecular Weight:
282.0901
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Product Description
Catalog Number:
AG00HU1M
Chemical Name:
Methyl 6-bromo-3-formyl-1H-indole-4-carboxylate
CAS Number:
1353636-63-1
Molecular Formula:
C11H8BrNO3
Molecular Weight:
282.0901
MDL Number:
MFCD20524870
IUPAC Name:
methyl 6-bromo-3-formyl-1H-indole-4-carboxylate
InChI:
InChI=1S/C11H8BrNO3/c1-16-11(15)8-2-7(12)3-9-10(8)6(5-14)4-13-9/h2-5,13H,1H3
InChI Key:
QHWNNYFXPVHHHP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc2c1c(C=O)c[nH]2
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.969g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.093g/mol
Monoisotopic Mass:
280.969g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties