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130231-58-2 | Benzene, 1-(azidomethyl)-4-(1,1-dimethylethyl)-
CAS No: 130231-58-2 Catalog No: AG000U6S MDL No:MFCD01320906
Product Description
Catalog Number:
AG000U6S
Chemical Name:
Benzene, 1-(azidomethyl)-4-(1,1-dimethylethyl)-
CAS Number:
130231-58-2
Molecular Formula:
C11H15N3
Molecular Weight:
189.2569
MDL Number:
MFCD01320906
IUPAC Name:
1-(azidomethyl)-4-tert-butylbenzene
InChI:
InChI=1S/C11H15N3/c1-11(2,3)10-6-4-9(5-7-10)8-13-14-12/h4-7H,8H2,1-3H3
InChI Key:
YVPUHRTVWANKKE-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)CN=[N+]=[N-])(C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.127g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.262g/mol
Monoisotopic Mass:
189.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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