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951894-42-1 | 2-Bromo-3-(2-chloro-4-fluorophenyl)-1-propene
CAS No: 951894-42-1 Catalog No: AG01F04K MDL No:
Product Description
Catalog Number:
AG01F04K
Chemical Name:
2-Bromo-3-(2-chloro-4-fluorophenyl)-1-propene
CAS Number:
951894-42-1
Molecular Formula:
C9H7BrClF
Molecular Weight:
249.5073
IUPAC Name:
1-(2-bromoprop-2-enyl)-2-chloro-4-fluorobenzene
InChI:
InChI=1S/C9H7BrClF/c1-6(10)4-7-2-3-8(12)5-9(7)11/h2-3,5H,1,4H2
InChI Key:
GCYGDYOMSAUGME-UHFFFAOYSA-N
SMILES:
BrC(=C)Cc1ccc(cc1Cl)F
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.94g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.507g/mol
Monoisotopic Mass:
247.94g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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