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Home > Nitro Compounds > 78513-08-3
78513-08-3 | (2S,3R)-()-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester
CAS No: 78513-08-3 Catalog No: AG003BOX MDL No:
Product Description
Catalog Number:
AG003BOX
Chemical Name:
(2S,3R)-()-3-(Benzyloxymethyl)oxirane-2-methanol 4-nitrobenzoic acid ester
CAS Number:
78513-08-3
IUPAC Name:
[(2S,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methyl 4-nitrobenzoate
InChI:
InChI=1S/C18H17NO6/c20-18(14-6-8-15(9-7-14)19(21)22)24-12-17-16(25-17)11-23-10-13-4-2-1-3-5-13/h1-9,16-17H,10-12H2/t16-,17+/m1/s1
InChI Key:
XBAOYRZETQXAAE-SJORKVTESA-N
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
343.106g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.335g/mol
Monoisotopic Mass:
343.106g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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