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Home > Bromides > 1224724-39-3
1224724-39-3 | 1H-Indole-7-carboxylic acid, 4-broMo-, Methyl ester
CAS No: 1224724-39-3 Catalog No: AG00179U MDL No:MFCD20487964
Product Description
Catalog Number:
AG00179U
Chemical Name:
1H-Indole-7-carboxylic acid, 4-broMo-, Methyl ester
CAS Number:
1224724-39-3
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD20487964
IUPAC Name:
methyl 4-bromo-1H-indole-7-carboxylate
InChI:
InChI=1S/C10H8BrNO2/c1-14-10(13)7-2-3-8(11)6-4-5-12-9(6)7/h2-5,12H,1H3
InChI Key:
JTBLJEGYYYHKGQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c2c1[nH]cc2)Br
Properties
Complexity:
234
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:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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