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Home > Bromides > 1375064-43-9
1375064-43-9 | 1H-Indole-1-carboxylic acid, 3-bromo-7-methyl-, ethyl ester
CAS No: 1375064-43-9 Catalog No: AG0013E1 MDL No:MFCD22205877
Product Description
Catalog Number:
AG0013E1
Chemical Name:
1H-Indole-1-carboxylic acid, 3-bromo-7-methyl-, ethyl ester
CAS Number:
1375064-43-9
Molecular Formula:
C12H12BrNO2
Molecular Weight:
282.1332
MDL Number:
MFCD22205877
IUPAC Name:
ethyl 3-bromo-7-methylindole-1-carboxylate
InChI:
InChI=1S/C12H12BrNO2/c1-3-16-12(15)14-7-10(13)9-6-4-5-8(2)11(9)14/h4-7H,3H2,1-2H3
InChI Key:
HYBXWXSTGDLURK-UHFFFAOYSA-N
SMILES:
CCOC(=O)n1cc(c2c1c(C)ccc2)Br
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.137g/mol
Monoisotopic Mass:
281.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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