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908597-10-4

908597-10-4 | Methyl 2,5-Dibromo-3-methylbenzoate

CAS No: 908597-10-4 Catalog No: AG01FE0U MDL No:MFCD18379815

Product Description

Catalog Number:
AG01FE0U
Chemical Name:
Methyl 2,5-Dibromo-3-methylbenzoate
CAS Number:
908597-10-4
Molecular Formula:
C9H8Br2O2
Molecular Weight:
307.9666
MDL Number:
MFCD18379815
IUPAC Name:
methyl 2,5-dibromo-3-methylbenzoate
InChI:
InChI=1S/C9H8Br2O2/c1-5-3-6(10)4-7(8(5)11)9(12)13-2/h3-4H,1-2H3
InChI Key:
LLFPGFPTRIKVSR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1Br)C

Properties

Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.887g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.969g/mol
Monoisotopic Mass:
305.889g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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