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197451-56-2 | Benzene, (1,3,3-tribromo-3-fluoropropyl)-
CAS No: 197451-56-2 Catalog No: AG002ATK MDL No:
Product Description
Catalog Number:
AG002ATK
Chemical Name:
Benzene, (1,3,3-tribromo-3-fluoropropyl)-
CAS Number:
197451-56-2
Molecular Formula:
C9H8Br3F
Molecular Weight:
374.8702
IUPAC Name:
(1,3,3-tribromo-3-fluoropropyl)benzene
InChI:
InChI=1S/C9H8Br3F/c10-8(6-9(11,12)13)7-4-2-1-3-5-7/h1-5,8H,6H2
InChI Key:
QNRKTHCUHXYUGU-UHFFFAOYSA-N
SMILES:
BrC(c1ccccc1)CC(Br)(Br)F
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.814g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.873g/mol
Monoisotopic Mass:
371.816g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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