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Home > Bromides > 1286170-85-1
1286170-85-1 | Pyrene, 1,8-dibromo-4,5-dimethoxy-
CAS No: 1286170-85-1 Catalog No: AG000Y7Z MDL No:MFCD23135609
Product Description
Catalog Number:
AG000Y7Z
Chemical Name:
Pyrene, 1,8-dibromo-4,5-dimethoxy-
CAS Number:
1286170-85-1
Molecular Formula:
C18H12Br2O2
Molecular Weight:
420.0947
MDL Number:
MFCD23135609
IUPAC Name:
1,8-dibromo-4,5-dimethoxypyrene
InChI:
InChI=1S/C18H12Br2O2/c1-21-17-11-5-7-13(19)9-3-4-10-14(20)8-6-12(18(17)22-2)16(10)15(9)11/h3-8H,1-2H3
InChI Key:
JMVGDSOPCGIBLM-UHFFFAOYSA-N
SMILES:
COc1c(OC)c2ccc(c3c2c2c1ccc(c2cc3)Br)Br
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.918g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.1g/mol
Monoisotopic Mass:
417.92g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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