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141778-85-0

141778-85-0 | Benzoic acid, 3-bromo-4-hydroxy-5-nitro-, ethyl ester

CAS No: 141778-85-0 Catalog No: AG001H0Z MDL No:MFCD22383758

Product Description

Catalog Number:
AG001H0Z
Chemical Name:
Benzoic acid, 3-bromo-4-hydroxy-5-nitro-, ethyl ester
CAS Number:
141778-85-0
Molecular Formula:
C9H8BrNO5
Molecular Weight:
290.0675
MDL Number:
MFCD22383758
IUPAC Name:
ethyl 3-bromo-4-hydroxy-5-nitrobenzoate
InChI:
InChI=1S/C9H8BrNO5/c1-2-16-9(13)5-3-6(10)8(12)7(4-5)11(14)15/h3-4,12H,2H2,1H3
InChI Key:
KRAMMRJISMDSHL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Br)c(c(c1)[N+](=O)[O-])O

Properties

Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.959g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
290.069g/mol
Monoisotopic Mass:
288.959g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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