Home Halogens Benzene, 1-bromo-2,4,5-trimethoxy-

Benzene, 1-bromo-2,4,5-trimethoxy-

CAS No.:
20129-11-7
Catalog Number:
AG002DB9
Molecular Formula:
C9H11BrO3
Molecular Weight:
247.0858
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Product Description
Catalog Number:
AG002DB9
Chemical Name:
Benzene, 1-bromo-2,4,5-trimethoxy-
CAS Number:
20129-11-7
Molecular Formula:
C9H11BrO3
Molecular Weight:
247.0858
MDL Number:
MFCD00094684
IUPAC Name:
1-bromo-2,4,5-trimethoxybenzene
InChI:
InChI=1S/C9H11BrO3/c1-11-7-5-9(13-3)8(12-2)4-6(7)10/h4-5H,1-3H3
InChI Key:
SFEPXIIFUHNCDO-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(cc1OC)Br
NSC Number:
143548
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.989g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.088g/mol
Monoisotopic Mass:
245.989g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties