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890136-70-6 | Phenanthrene, 1-bromo-3,4,6,7-tetramethoxy-
CAS No: 890136-70-6 Catalog No: AG00438D MDL No:
Product Description
Catalog Number:
AG00438D
Chemical Name:
Phenanthrene, 1-bromo-3,4,6,7-tetramethoxy-
CAS Number:
890136-70-6
Molecular Formula:
C18H17BrO4
Molecular Weight:
377.2292
IUPAC Name:
1-bromo-3,4,6,7-tetramethoxyphenanthrene
InChI:
InChI=1S/C18H17BrO4/c1-20-14-7-10-5-6-11-13(19)9-16(22-3)18(23-4)17(11)12(10)8-15(14)21-2/h5-9H,1-4H3
InChI Key:
ZHBXEGGUVJIGGU-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)ccc1c2c(OC)c(OC)cc1Br
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.031g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.234g/mol
Monoisotopic Mass:
376.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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