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Home > Aldehydes > 113302-67-3
113302-67-3 | Benzaldehyde, 2-azido-3-methyl-
CAS No: 113302-67-3 Catalog No: AG007SMK MDL No:
Product Description
Catalog Number:
AG007SMK
Chemical Name:
Benzaldehyde, 2-azido-3-methyl-
CAS Number:
113302-67-3
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
IUPAC Name:
2-azido-3-methylbenzaldehyde
InChI:
InChI=1S/C8H7N3O/c1-6-3-2-4-7(5-12)8(6)10-11-9/h2-5H,1H3
InChI Key:
JXLXOOGBLHLSIS-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1c(C)cccc1C=O
Properties
Complexity:
210
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:
2
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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