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100463-10-3 | Benzene, 1-azido-4-(diethoxymethyl)-
CAS No: 100463-10-3 Catalog No: AG00022E MDL No:
Product Description
Catalog Number:
AG00022E
Chemical Name:
Benzene, 1-azido-4-(diethoxymethyl)-
CAS Number:
100463-10-3
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
IUPAC Name:
1-azido-4-(diethoxymethyl)benzene
InChI:
InChI=1S/C11H15N3O2/c1-3-15-11(16-4-2)9-5-7-10(8-6-9)13-14-12/h5-8,11H,3-4H2,1-2H3
InChI Key:
SPWVXHGXUVBMCC-UHFFFAOYSA-N
SMILES:
CCOC(c1ccc(cc1)N=[N+]=[N-])OCC
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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