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106268-96-6

106268-96-6 | (R)-(2-Methyloxiran-2-yl)methyl 4-nitrobenzoate

CAS No: 106268-96-6 Catalog No: AG003BO0 MDL No:MFCD00012315

Product Description

Catalog Number:
AG003BO0
Chemical Name:
(R)-(2-Methyloxiran-2-yl)methyl 4-nitrobenzoate
CAS Number:
106268-96-6
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
MDL Number:
MFCD00012315
IUPAC Name:
[(2R)-2-methyloxiran-2-yl]methyl 4-nitrobenzoate
InChI:
InChI=1S/C11H11NO5/c1-11(7-17-11)6-16-10(13)8-2-4-9(5-3-8)12(14)15/h2-5H,6-7H2,1H3/t11-/m0/s1
InChI Key:
PUBTVFBOTFDPTA-NSHDSACASA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@]1(C)OC1

Properties

Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
237.064g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.211g/mol
Monoisotopic Mass:
237.064g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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