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96315-16-1 | Ethyl 4-(bromomethyl)-3-nitrobenzoate
CAS No: 96315-16-1 Catalog No: AG01FDA5 MDL No:
Product Description
Catalog Number:
AG01FDA5
Chemical Name:
Ethyl 4-(bromomethyl)-3-nitrobenzoate
CAS Number:
96315-16-1
Molecular Formula:
C10H10BrNO4
Molecular Weight:
288.0947
IUPAC Name:
ethyl 4-(bromomethyl)-3-nitrobenzoate
InChI:
InChI=1S/C10H10BrNO4/c1-2-16-10(13)7-3-4-8(6-11)9(5-7)12(14)15/h3-5H,2,6H2,1H3
InChI Key:
PIMARRUOUZIQAS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])CBr
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.979g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.097g/mol
Monoisotopic Mass:
286.979g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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