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2725-82-8 | 1-Bromo-3-Ethylbenzene
CAS No: 2725-82-8 Catalog No: AG003E46 MDL No:MFCD00156128
Product Description
Catalog Number:
AG003E46
Chemical Name:
1-Bromo-3-Ethylbenzene
CAS Number:
2725-82-8
Molecular Formula:
C8H9Br
Molecular Weight:
185.0611
MDL Number:
MFCD00156128
IUPAC Name:
1-bromo-3-ethylbenzene
InChI:
InChI=1S/C8H9Br/c1-2-7-4-3-5-8(9)6-7/h3-6H,2H2,1H3
InChI Key:
ZRFJYAZQMFCUIX-UHFFFAOYSA-N
SMILES:
BrCCc1ccccc1
Properties
Complexity:
80.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.989g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.064g/mol
Monoisotopic Mass:
183.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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