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1010072-35-1 | 2-Benzofurancarboxylic acid, 7-bromo-5-nitro-, ethyl ester
CAS No: 1010072-35-1 Catalog No: AG0003HT MDL No:MFCD11112161
Product Description
Catalog Number:
AG0003HT
Chemical Name:
2-Benzofurancarboxylic acid, 7-bromo-5-nitro-, ethyl ester
CAS Number:
1010072-35-1
Molecular Formula:
C11H8BrNO5
Molecular Weight:
314.0889
MDL Number:
MFCD11112161
IUPAC Name:
ethyl 7-bromo-5-nitro-1-benzofuran-2-carboxylate
InChI:
InChI=1S/C11H8BrNO5/c1-2-17-11(14)9-4-6-3-7(13(15)16)5-8(12)10(6)18-9/h3-5H,2H2,1H3
InChI Key:
AUBVSVIGEANFGC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c(o1)c(Br)cc(c2)[N+](=O)[O-]
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.959g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.091g/mol
Monoisotopic Mass:
312.959g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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