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75894-94-9 | 3,5-Dibromo-4-n-butylbenzene
CAS No: 75894-94-9 Catalog No: AG01EXAY MDL No:MFCD11845939
Product Description
Catalog Number:
AG01EXAY
Chemical Name:
3,5-Dibromo-4-n-butylbenzene
CAS Number:
75894-94-9
Molecular Formula:
C10H12Br2
Molecular Weight:
292.0103
MDL Number:
MFCD11845939
IUPAC Name:
1,3-dibromo-5-butylbenzene
InChI:
InChI=1S/C10H12Br2/c1-2-3-4-8-5-9(11)7-10(12)6-8/h5-7H,2-4H2,1H3
InChI Key:
UMRPDJSLYFLVNX-UHFFFAOYSA-N
SMILES:
CCCCc1cc(Br)cc(c1)Br
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.929g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.014g/mol
Monoisotopic Mass:
289.931g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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