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170681-91-1 | 5-Bromo-7-methylbenzofuran
CAS No: 170681-91-1 Catalog No: AG003MJV MDL No:MFCD11877829
Product Description
Catalog Number:
AG003MJV
Chemical Name:
5-Bromo-7-methylbenzofuran
CAS Number:
170681-91-1
Molecular Formula:
C9H7BrO
Molecular Weight:
211.0553
MDL Number:
MFCD11877829
IUPAC Name:
5-bromo-7-methyl-1-benzofuran
InChI:
InChI=1S/C9H7BrO/c1-6-4-8(10)5-7-2-3-11-9(6)7/h2-5H,1H3
InChI Key:
FYSCPARNNVMYGE-UHFFFAOYSA-N
SMILES:
Brc1cc(C)c2c(c1)cco2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.968g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.058g/mol
Monoisotopic Mass:
209.968g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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