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41492-05-1 | 1-Bromo-4-n-Butylbenzene
CAS No: 41492-05-1 Catalog No: AG0032PX MDL No:MFCD00040934
Product Description
Catalog Number:
AG0032PX
Chemical Name:
1-Bromo-4-n-Butylbenzene
CAS Number:
41492-05-1
Molecular Formula:
C10H13Br
Molecular Weight:
213.1142
MDL Number:
MFCD00040934
IUPAC Name:
1-bromo-4-butylbenzene
InChI:
InChI=1S/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
InChI Key:
BRGVKVZXDWGJBX-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)Br
Properties
Complexity:
93
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.118g/mol
Monoisotopic Mass:
212.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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