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88644-61-5 | Benzoyl azide, 2-(chloromethyl)-
CAS No: 88644-61-5 Catalog No: AG0049DX MDL No:
Product Description
Catalog Number:
AG0049DX
Chemical Name:
Benzoyl azide, 2-(chloromethyl)-
CAS Number:
88644-61-5
Molecular Formula:
C8H6ClN3O
Molecular Weight:
195.6057
IUPAC Name:
2-(chloromethyl)benzoyl azide
InChI:
InChI=1S/C8H6ClN3O/c9-5-6-3-1-2-4-7(6)8(13)11-12-10/h1-4H,5H2
InChI Key:
FNYZSKIQIUTYEN-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC(=O)c1ccccc1CCl
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.606g/mol
Monoisotopic Mass:
195.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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