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889869-30-1 | Benzene, 1-[(1E)-2-bromoethenyl]-2-methyl-
CAS No: 889869-30-1 Catalog No: AG0045JV MDL No:MFCD09032576
Product Description
Catalog Number:
AG0045JV
Chemical Name:
Benzene, 1-[(1E)-2-bromoethenyl]-2-methyl-
CAS Number:
889869-30-1
Molecular Formula:
C9H9Br
Molecular Weight:
197.0718
MDL Number:
MFCD09032576
IUPAC Name:
1-(2-bromoethenyl)-2-methylbenzene
InChI:
InChI=1S/C9H9Br/c1-8-4-2-3-5-9(8)6-7-10/h2-7H,1H3
InChI Key:
JMWRLLGTPODZBM-UHFFFAOYSA-N
SMILES:
Br/C=C/c1ccccc1C
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.989g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.075g/mol
Monoisotopic Mass:
195.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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