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31543-75-6

31543-75-6 | 2,4-Dibromo-1-methylbenzene

CAS No: 31543-75-6 Catalog No: AG003FQ0 MDL No:MFCD00052985

Product Description

Catalog Number:
AG003FQ0
Chemical Name:
2,4-Dibromo-1-methylbenzene
CAS Number:
31543-75-6
Molecular Formula:
C7H6Br2
Molecular Weight:
249.9305
MDL Number:
MFCD00052985
IUPAC Name:
2,4-dibromo-1-methylbenzene
InChI:
InChI=1S/C7H6Br2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
InChI Key:
GHWYNNFPUGEYEM-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)Br)C
NSC Number:
139877

Properties

Complexity:
92.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.882g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.933g/mol
Monoisotopic Mass:
247.884g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

Literature

Title Journal
A series of nonpolar thymidine analogues of increasing size: DNA base pairing and stacking properties. The Journal of organic chemistry 20050318

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