CAS 19932-85-5 | 2(3H)-Benzoxazolone, 6-bromo- | CAS Number 19932-85-5

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19932-85-5 | 2(3H)-Benzoxazolone, 6-bromo-

CAS No: 19932-85-5 Catalog No: AG002C2K MDL No:MFCD00694727

Product Description

Catalog Number:

AG002C2K

Chemical Name:

2(3H)-Benzoxazolone, 6-bromo-

CAS Number:

19932-85-5

Molecular Formula:

C7H4BrNO2

Molecular Weight:

214.0162

MDL Number:

MFCD00694727

IUPAC Name:

6-bromo-3H-1,3-benzoxazol-2-one

InChI:

InChI=1S/C7H4BrNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)

InChI Key:

DDNKJFBQMQOIKI-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(c1)oc(=O)[nH]2

NSC Number:

26190

Properties

Complexity:

185

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.943g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

214.018g/mol

Monoisotopic Mass:

212.943g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
A small-molecule inhibitor of Mps1 blocks the spindle-checkpoint response to a lack of tension on mitotic chromosomes.	Current biology : CB 20050607