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27570-08-7 | Benzene, 1-[(1E)-2-bromoethenyl]-4-methoxy-
CAS No: 27570-08-7 Catalog No: AG002U3J MDL No:
Product Description
Catalog Number:
AG002U3J
Chemical Name:
Benzene, 1-[(1E)-2-bromoethenyl]-4-methoxy-
CAS Number:
27570-08-7
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
IUPAC Name:
1-(2-bromoethenyl)-4-methoxybenzene
InChI:
InChI=1S/C9H9BrO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-7H,1H3
InChI Key:
MNSBHZNBVJAJND-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C/Br
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.074g/mol
Monoisotopic Mass:
211.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Catalytic hunsdiecker reaction of alpha,beta-unsaturated carboxylic acids: how efficient is the catalyst? | The Journal of organic chemistry 20021101 |
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