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BROMOXYNIL-METHYL ETHER

CAS No.:
3336-39-8
Catalog Number:
AG00BYBO
Molecular Formula:
C8H5Br2NO
Molecular Weight:
290.9394
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Product Description
Catalog Number:
AG00BYBO
Chemical Name:
BROMOXYNIL-METHYL ETHER
CAS Number:
3336-39-8
Molecular Formula:
C8H5Br2NO
Molecular Weight:
290.9394
MDL Number:
MFCD00017333
IUPAC Name:
3,5-dibromo-4-methoxybenzonitrile
InChI:
InChI=1S/C8H5Br2NO/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3H,1H3
InChI Key:
BUGMOVRSBPGSOS-UHFFFAOYSA-N
SMILES:
COc1c(Br)cc(cc1Br)C#N
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.872g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.942g/mol
Monoisotopic Mass:
288.874g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties