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89761-12-6 | Benzene, 1-(4-bromobutyl)-4-propyl-
CAS No: 89761-12-6 Catalog No: AG003ZRR MDL No:
Product Description
Catalog Number:
AG003ZRR
Chemical Name:
Benzene, 1-(4-bromobutyl)-4-propyl-
CAS Number:
89761-12-6
Molecular Formula:
C13H19Br
Molecular Weight:
255.1940
IUPAC Name:
1-(4-bromobutyl)-4-propylbenzene
InChI:
InChI=1S/C13H19Br/c1-2-5-12-7-9-13(10-8-12)6-3-4-11-14/h7-10H,2-6,11H2,1H3
InChI Key:
CUMWZQWKNOIJCE-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)CCCCBr
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.199g/mol
Monoisotopic Mass:
254.067g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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