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162402-58-6 | Benzeneacetic acid, α-azido-, ethyl ester, (S)- (9CI)
CAS No: 162402-58-6 Catalog No: AG001T3I MDL No:
Product Description
Catalog Number:
AG001T3I
Chemical Name:
Benzeneacetic acid, α-azido-, ethyl ester, (S)- (9CI)
CAS Number:
162402-58-6
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
IUPAC Name:
ethyl (2S)-2-azido-2-phenylacetate
InChI:
InChI=1S/C10H11N3O2/c1-2-15-10(14)9(12-13-11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3/t9-/m0/s1
InChI Key:
CWQPOTDTAIESNU-VIFPVBQESA-N
SMILES:
CCOC(=O)[C@H](c1ccccc1)N=[N+]=[N-]
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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