CAS 19219-99-9 | Benzoxazole, 5-chloro-2-methyl- | CAS Number 19219-99-9

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19219-99-9 | Benzoxazole, 5-chloro-2-methyl-

CAS No: 19219-99-9 Catalog No: AG002FQ1 MDL No:MFCD00022850

Product Description

Catalog Number:

AG002FQ1

Chemical Name:

Benzoxazole, 5-chloro-2-methyl-

CAS Number:

19219-99-9

Molecular Formula:

C8H6ClNO

Molecular Weight:

167.5923

MDL Number:

MFCD00022850

IUPAC Name:

5-chloro-2-methyl-1,3-benzoxazole

InChI:

InChI=1S/C8H6ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3

InChI Key:

HJCIGAUHTJBHBQ-UHFFFAOYSA-N

SMILES:

Clc1ccc2c(c1)nc(o2)C

EC Number:

242-888-4

NSC Number:

26192

Properties

Complexity:

153

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

167.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.592g/mol

Monoisotopic Mass:

167.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Biotransformation of 4-chloro-2-nitrophenol into 5-chloro-2-methylbenzoxazole by a marine Bacillus sp. strain MW-1.	Biodegradation 20120401
Metabolism of 2-chloro-4-nitrophenol in a gram negative bacterium, Burkholderia sp. RKJ 800.	PloS one 20120101