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113962-87-1 | Benzene, 1-azido-3-(diazomethyl)- (9CI)
CAS No: 113962-87-1 Catalog No: AG000A5T MDL No:
Product Description
Catalog Number:
AG000A5T
Chemical Name:
Benzene, 1-azido-3-(diazomethyl)- (9CI)
CAS Number:
113962-87-1
Molecular Formula:
C7H5N5
Molecular Weight:
159.1481
IUPAC Name:
1-azido-3-(diazomethyl)benzene
InChI:
InChI=1S/C7H5N5/c8-10-5-6-2-1-3-7(4-6)11-12-9/h1-5H
InChI Key:
MRCYKZAPMFIKOZ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Cc1cccc(c1)N=[N+]=[N-]
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.152g/mol
Monoisotopic Mass:
159.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
16.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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