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130611-33-5 | Benzene, 2-bromo-3,4,5-trimethoxy-1-(methoxymethyl)-
CAS No: 130611-33-5 Catalog No: AG000UP7 MDL No:
Product Description
Catalog Number:
AG000UP7
Chemical Name:
Benzene, 2-bromo-3,4,5-trimethoxy-1-(methoxymethyl)-
CAS Number:
130611-33-5
Molecular Formula:
C11H15BrO4
Molecular Weight:
291.1384
IUPAC Name:
4-bromo-1,2,3-trimethoxy-5-(methoxymethyl)benzene
InChI:
InChI=1S/C11H15BrO4/c1-13-6-7-5-8(14-2)10(15-3)11(16-4)9(7)12/h5H,6H2,1-4H3
InChI Key:
RILFDKXRUVDQAC-UHFFFAOYSA-N
SMILES:
COCc1cc(OC)c(c(c1Br)OC)OC
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.015g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.141g/mol
Monoisotopic Mass:
290.015g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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