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24856-58-4 | Benzene, 1-bromo-4-(dimethoxymethyl)-
CAS No: 24856-58-4 Catalog No: AG002PNH MDL No:MFCD01320499
Product Description
Catalog Number:
AG002PNH
Chemical Name:
Benzene, 1-bromo-4-(dimethoxymethyl)-
CAS Number:
24856-58-4
Molecular Formula:
C9H11BrO2
Molecular Weight:
231.0864
MDL Number:
MFCD01320499
IUPAC Name:
1-bromo-4-(dimethoxymethyl)benzene
InChI:
InChI=1S/C9H11BrO2/c1-11-9(12-2)7-3-5-8(10)6-4-7/h3-6,9H,1-2H3
InChI Key:
TWFNGPDYMFEHOB-UHFFFAOYSA-N
SMILES:
COC(c1ccc(cc1)Br)OC
EC Number:
918-110-0
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.994g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.089g/mol
Monoisotopic Mass:
229.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis of valsartan via decarboxylative biaryl coupling. | The Journal of organic chemistry 20070914 |
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