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116138-00-2 | Benzene, 1-azido-2,4-dimethoxy-3-methyl-
CAS No: 116138-00-2 Catalog No: AG000BPB MDL No:
Product Description
Catalog Number:
AG000BPB
Chemical Name:
Benzene, 1-azido-2,4-dimethoxy-3-methyl-
CAS Number:
116138-00-2
Molecular Formula:
C9H11N3O2
Molecular Weight:
193.2025
IUPAC Name:
1-azido-2,4-dimethoxy-3-methylbenzene
InChI:
InChI=1S/C9H11N3O2/c1-6-8(13-2)5-4-7(11-12-10)9(6)14-3/h4-5H,1-3H3
InChI Key:
LCTABSGAZWGCAT-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(c(c1OC)C)OC
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.206g/mol
Monoisotopic Mass:
193.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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