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1580-05-8 | Benzene, 2-bromo-4-fluoro-1,3,5-trimethyl-
CAS No: 1580-05-8 Catalog No: AG001PWC MDL No:MFCD22683870
Product Description
Catalog Number:
AG001PWC
Chemical Name:
Benzene, 2-bromo-4-fluoro-1,3,5-trimethyl-
CAS Number:
1580-05-8
Molecular Formula:
C9H10BrF
Molecular Weight:
217.0781
MDL Number:
MFCD22683870
IUPAC Name:
2-bromo-4-fluoro-1,3,5-trimethylbenzene
InChI:
InChI=1S/C9H10BrF/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,1-3H3
InChI Key:
ZFFSUDYUALDHPF-UHFFFAOYSA-N
SMILES:
Fc1c(C)cc(c(c1C)Br)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.995g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.081g/mol
Monoisotopic Mass:
215.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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