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190789-35-6 | 9H-Xanthene, 4,5-dibromo-9,9-dimethyl-
CAS No: 190789-35-6 Catalog No: AG002ESV MDL No:
Product Description
Catalog Number:
AG002ESV
Chemical Name:
9H-Xanthene, 4,5-dibromo-9,9-dimethyl-
CAS Number:
190789-35-6
Molecular Formula:
C15H12Br2O
Molecular Weight:
368.0632
IUPAC Name:
4,5-dibromo-9,9-dimethylxanthene
InChI:
InChI=1S/C15H12Br2O/c1-15(2)9-5-3-7-11(16)13(9)18-14-10(15)6-4-8-12(14)17/h3-8H,1-2H3
InChI Key:
BPRHSTFUDDBCAQ-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1Oc1c(Br)cccc1C2(C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.923g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.068g/mol
Monoisotopic Mass:
365.925g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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