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23574-40-5 | Ethanol, 2-bromo-, 1-(4-nitrobenzoate)
CAS No: 23574-40-5 Catalog No: AG002NPB MDL No:
Product Description
Catalog Number:
AG002NPB
Chemical Name:
Ethanol, 2-bromo-, 1-(4-nitrobenzoate)
CAS Number:
23574-40-5
IUPAC Name:
2-bromoethyl 4-nitrobenzoate
InChI:
InChI=1S/C9H8BrNO4/c10-5-6-15-9(12)7-1-3-8(4-2-7)11(13)14/h1-4H,5-6H2
InChI Key:
BBSUABROLDVKMB-UHFFFAOYSA-N
NSC Number:
131998
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.964g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.07g/mol
Monoisotopic Mass:
272.964g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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