2-(azidomethyl)-5-chloro-1,3-benzoxazole

2-(azidomethyl)-5-chloro-1,3-benzoxazole

CAS: 1158301-21-3

Formula: C8H5ClN4O

SMILES: ClC1=CC=C2OC(CN=[N+]=[N-])=NC2=C1

IUPAC: 2-(azidomethyl)-5-chloro-1,3-benzoxazole

InChI: InChI=1S/C8H5ClN4O/c9-5-1-2-7-6(3-5)12-8(14-7)4-11-13-10/h1-3H,4H2

Composition: C (46.06%), H (2.42%), Cl (16.99%), N (26.86%), O (7.67%)

Molar Mass: 208.61

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	208.0151885
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VRHDPVIGRGSRAJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.96
Topological Polar Surface Area	55.46
Polarizability	19.84
Ring Count	2
Rotatable Bond Count	2

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