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Home > Bromides > 1148116-92-0
1148116-92-0 | Benzoic acid, 4-bromo-, (2-cyano-4-pyridinyl)methyl ester
CAS No: 1148116-92-0 Catalog No: AG000FA6 MDL No:
Product Description
Catalog Number:
AG000FA6
Chemical Name:
Benzoic acid, 4-bromo-, (2-cyano-4-pyridinyl)methyl ester
CAS Number:
1148116-92-0
Molecular Formula:
C14H9BrN2O2
Molecular Weight:
317.1375
IUPAC Name:
(2-cyanopyridin-4-yl)methyl 4-bromobenzoate
InChI:
InChI=1S/C14H9BrN2O2/c15-12-3-1-11(2-4-12)14(18)19-9-10-5-6-17-13(7-10)8-16/h1-7H,9H2
InChI Key:
GMOOOMMKAXAULW-UHFFFAOYSA-N
SMILES:
N#Cc1nccc(c1)COC(=O)c1ccc(cc1)Br
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.985g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.142g/mol
Monoisotopic Mass:
315.985g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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