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Home > Bromides > 1805101-91-0
1805101-91-0 | methyl 4-bromo-3-cyano-2-methoxybenzoate
CAS No: 1805101-91-0 Catalog No: AG01ELC3 MDL No:MFCD28736383
Product Description
Catalog Number:
AG01ELC3
Chemical Name:
methyl 4-bromo-3-cyano-2-methoxybenzoate
CAS Number:
1805101-91-0
Molecular Formula:
C10H8BrNO3
Molecular Weight:
270.0794
MDL Number:
MFCD28736383
IUPAC Name:
methyl 4-bromo-3-cyano-2-methoxybenzoate
InChI:
InChI=1S/C10H8BrNO3/c1-14-9-6(10(13)15-2)3-4-8(11)7(9)5-12/h3-4H,1-2H3
InChI Key:
HWGYRPPERLABKT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1OC)C#N)Br
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.969g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.082g/mol
Monoisotopic Mass:
268.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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