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78480-05-4 | Benzeneacetaldehyde, 2-azido-
CAS No: 78480-05-4 Catalog No: AG005LWK MDL No:
Product Description
Catalog Number:
AG005LWK
Chemical Name:
Benzeneacetaldehyde, 2-azido-
CAS Number:
78480-05-4
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
IUPAC Name:
2-(2-azidophenyl)acetaldehyde
InChI:
InChI=1S/C8H7N3O/c9-11-10-8-4-2-1-3-7(8)5-6-12/h1-4,6H,5H2
InChI Key:
ZKUTUMFPGQQWFP-UHFFFAOYSA-N
SMILES:
O=CCc1ccccc1N=[N+]=[N-]
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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