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3840-30-0 | 3,4,5-Trimethoxybenzyl chloride
CAS No: 3840-30-0 Catalog No: AG003IEZ MDL No:MFCD00040716
Product Description
Catalog Number:
AG003IEZ
Chemical Name:
3,4,5-Trimethoxybenzyl chloride
CAS Number:
3840-30-0
Molecular Formula:
C10H13ClO3
Molecular Weight:
216.6614
MDL Number:
MFCD00040716
IUPAC Name:
5-(chloromethyl)-1,2,3-trimethoxybenzene
InChI:
InChI=1S/C10H13ClO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6H2,1-3H3
InChI Key:
XXRUQNNAKXZSOS-UHFFFAOYSA-N
SMILES:
COc1cc(CCl)cc(c1OC)OC
EC Number:
223-330-9
NSC Number:
100940
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.055g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.661g/mol
Monoisotopic Mass:
216.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Triphenyl(3,4,5-trimethoxy-benzyl)-phospho-nium chloride monohydrate. | Acta crystallographica. Section E, Structure reports online 20081001 |
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