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823189-05-5 | Benzene, (2-azidopropyl)-
CAS No: 823189-05-5 Catalog No: AG005FDX MDL No:MFCD24452788
Product Description
Catalog Number:
AG005FDX
Chemical Name:
Benzene, (2-azidopropyl)-
CAS Number:
823189-05-5
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
MDL Number:
MFCD24452788
IUPAC Name:
2-azidopropylbenzene
InChI:
InChI=1S/C9H11N3/c1-8(11-12-10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChI Key:
LDUSDJLJAUZKJD-UHFFFAOYSA-N
SMILES:
CC(N=[N+]=[N-])Cc1ccccc1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.208g/mol
Monoisotopic Mass:
161.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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