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130490-09-4 | Benzene, 1-[(1E)-2-bromo-2-fluoroethenyl]-4-methoxy-
CAS No: 130490-09-4 Catalog No: AG000UHH MDL No:
Product Description
Catalog Number:
AG000UHH
Chemical Name:
Benzene, 1-[(1E)-2-bromo-2-fluoroethenyl]-4-methoxy-
CAS Number:
130490-09-4
Molecular Formula:
C9H8BrFO
Molecular Weight:
231.0616
IUPAC Name:
1-(2-bromo-2-fluoroethenyl)-4-methoxybenzene
InChI:
InChI=1S/C9H8BrFO/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-6H,1H3
InChI Key:
FRCFVCUTQPFPHS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C(/Br)\F
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.064g/mol
Monoisotopic Mass:
229.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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