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146954-08-7 | Benzene, 1-azido-2-(chloromethyl)-4-methyl-
CAS No: 146954-08-7 Catalog No: AG001EHI MDL No:
Product Description
Catalog Number:
AG001EHI
Chemical Name:
Benzene, 1-azido-2-(chloromethyl)-4-methyl-
CAS Number:
146954-08-7
Molecular Formula:
C8H8ClN3
Molecular Weight:
181.6222
IUPAC Name:
1-azido-2-(chloromethyl)-4-methylbenzene
InChI:
InChI=1S/C8H8ClN3/c1-6-2-3-8(11-12-10)7(4-6)5-9/h2-4H,5H2,1H3
InChI Key:
OHTRLMFEFRURKK-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1CCl)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.623g/mol
Monoisotopic Mass:
181.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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