AG00AA18

1225672-06-9 | 5-Chlorobenzo[d]oxazol-7-amine

AG00AA18

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CAS Number	1225672-06-9
Catalog Number	AG00AA18(AGN-PC-0WCRZ5)
Chemical Name	5-Chlorobenzo[d]oxazol-7-amine
IUPAC Name	5-chloro-1,3-benzoxazol-7-amine
InChI	InChI=1S/C7H5ClN2O/c8-4-1-5(9)7-6(2-4)10-3-11-7/h1-3H,9H2
InChI Key	UWOAUZQKSVKKEI-UHFFFAOYSA-N
MDL Number	MFCD16468498
Molecular Formula	C7H5ClN2O
Molecular Weight	168.5804
SMILES	NC1=C(OC=N2)C2=CC(Cl)=C1
Synonyms	5-chlorobenzo[d]oxazol-7-amine, 1225672-06-9, 5-Chloro-1,3-benzoxazol-7-amine, 7-Benzoxazolamine, 5-chloro-, DTXSID60745102, MFCD16468498, ZINC41568771, FCH1147453, RL01027, AK132513, AJ-104145, AX8253436, CS-0060206, J-517386,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.009g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.58g/mol
Monoisotopic Mass	168.009g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number