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1585-07-5

1585-07-5 | Benzene, 1-bromo-4-ethyl-

CAS No: 1585-07-5 Catalog No: AG001Q8L MDL No:MFCD00000111

Product Description

Catalog Number:
AG001Q8L
Chemical Name:
Benzene, 1-bromo-4-ethyl-
CAS Number:
1585-07-5
Molecular Formula:
C8H9Br
Molecular Weight:
185.0611
MDL Number:
MFCD00000111
IUPAC Name:
1-bromo-4-ethylbenzene
InChI:
InChI=1S/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
InChI Key:
URFPRAHGGBYNPW-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)Br
EC Number:
216-439-8
UNII:
42LI8TAT6J
NSC Number:
60144

Properties

Complexity:
72.6  
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:
3.6  

Literature

Title Journal
Targeted LC-MS derivatization for aldehydes and carboxylic acids with a new derivatization agent 4-APEBA. Analytical and bioanalytical chemistry 20100501

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