1-(Azidomethyl)-2-methylbenzene solution - CAS 126799-83-5

Catalog:	BB006665
Product Name:	1-(Azidomethyl)-2-methylbenzene solution
CAS:	126799-83-5
Synonyms:	1-(azidomethyl)-2-methylbenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(azidomethyl)-2-methylbenzene
Description:	1-(Azidomethyl)-2-methylbenzene solution (CAS# 126799-83-5) is a useful research chemical.
Molecular Weight:	147.18
Molecular Formula:	C8H9N3
Canonical SMILES:	CC1=CC=CC=C1CN=[N+]=[N-]
InChI:	InChI=1S/C8H9N3/c1-7-4-2-3-5-8(7)6-10-11-9/h2-5H,6H2,1H3
InChI Key:	TWZXVFYNRLIXRY-UHFFFAOYSA-N
MDL:	MFCD11637152
LogP:	2.25806

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Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.0796473
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	147.0796473
Rotatable Bond Count:	2
Topological Polar Surface Area:	14.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2