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115467-04-4 | Benzene, 5-bromo-2-ethoxy-1,3-difluoro-
CAS No: 115467-04-4 Catalog No: AG000G12 MDL No:MFCD18917873
Product Description
Catalog Number:
AG000G12
Chemical Name:
Benzene, 5-bromo-2-ethoxy-1,3-difluoro-
CAS Number:
115467-04-4
Molecular Formula:
C8H7BrF2O
Molecular Weight:
237.0414
MDL Number:
MFCD18917873
IUPAC Name:
5-bromo-2-ethoxy-1,3-difluorobenzene
InChI:
InChI=1S/C8H7BrF2O/c1-2-12-8-6(10)3-5(9)4-7(8)11/h3-4H,2H2,1H3
InChI Key:
NDUBLGNFIPJKSL-UHFFFAOYSA-N
SMILES:
CCOc1c(F)cc(cc1F)Br
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.044g/mol
Monoisotopic Mass:
235.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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