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87729-44-0 | Biphenylene, 1,4,5,8-tetrakis(bromomethyl)-
CAS No: 87729-44-0 Catalog No: AG004GAX MDL No:
Product Description
Catalog Number:
AG004GAX
Chemical Name:
Biphenylene, 1,4,5,8-tetrakis(bromomethyl)-
CAS Number:
87729-44-0
Molecular Formula:
C16H12Br4
Molecular Weight:
523.8825
IUPAC Name:
1,4,5,8-tetrakis(bromomethyl)biphenylene
InChI:
InChI=1S/C16H12Br4/c17-5-9-1-2-10(6-18)14-13(9)15-11(7-19)3-4-12(8-20)16(14)15/h1-4H,5-8H2
InChI Key:
HOFHVNYAEAWCTP-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c2c1c1c2c(CBr)ccc1CBr)CBr
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
523.763g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
523.888g/mol
Monoisotopic Mass:
519.767g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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