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113543-52-5 | Benzeneacetic acid, α-azido-, phenylmethyl ester, (S)- (9CI)
CAS No: 113543-52-5 Catalog No: AG0008XK MDL No:
Product Description
Catalog Number:
AG0008XK
Chemical Name:
Benzeneacetic acid, α-azido-, phenylmethyl ester, (S)- (9CI)
CAS Number:
113543-52-5
Molecular Formula:
C15H13N3O2
Molecular Weight:
267.2826
IUPAC Name:
benzyl (2S)-2-azido-2-phenylacetate
InChI:
InChI=1S/C15H13N3O2/c16-18-17-14(13-9-5-2-6-10-13)15(19)20-11-12-7-3-1-4-8-12/h1-10,14H,11H2/t14-/m0/s1
InChI Key:
DWFSGEMBCYIUIQ-AWEZNQCLSA-N
SMILES:
[N-]=[N+]=N[C@@H](c1ccccc1)C(=O)OCc1ccccc1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
267.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.288g/mol
Monoisotopic Mass:
267.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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