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Home > Bromides > 1643573-87-8
1643573-87-8 | 1H-Indole-7-carboxylic acid, 4-bromo-3-formyl-, methyl ester
CAS No: 1643573-87-8 Catalog No: AG001UU2 MDL No:
Product Description
Catalog Number:
AG001UU2
Chemical Name:
1H-Indole-7-carboxylic acid, 4-bromo-3-formyl-, methyl ester
CAS Number:
1643573-87-8
Molecular Formula:
C11H8BrNO3
Molecular Weight:
282.0901
IUPAC Name:
methyl 4-bromo-3-formyl-1H-indole-7-carboxylate
InChI:
InChI=1S/C11H8BrNO3/c1-16-11(15)7-2-3-8(12)9-6(5-14)4-13-10(7)9/h2-5,13H,1H3
InChI Key:
ORXVFCDSHNLZAK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c2c1[nH]cc2C=O)Br
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
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