AG00057C

1016878-52-6 | 7-Bromo-3,4-dihydroquinoxalin-2(1H)-one

AG00057C

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CAS Number	1016878-52-6
Catalog Number	AG00057C(AGN-PC-0WAN6K)
Chemical Name	7-Bromo-3,4-dihydroquinoxalin-2(1H)-one
IUPAC Name	7-bromo-3,4-dihydro-1H-quinoxalin-2-one
InChI	InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4H2,(H,11,12)
InChI Key	ZITQQDFTRWZLSH-UHFFFAOYSA-N
MDL Number	MFCD09947551
Molecular Formula	C8H7BrN2O
Molecular Weight	227.0580
SMILES	O=C1NC2=C(C=CC(Br)=C2)NC1
Synonyms	7-Bromo-3,4-dihydroquinoxalin-2(1H)-one, 1016878-52-6, 7-bromo-3,4-dihydro-1H-quinoxalin-2-one, 7-bromo-1,2,3,4-tetrahydroquinoxalin-2-one, KS-00000RVH, DTXSID40640944, MFCD09947551, RW2680, ZINC19511980, AKOS000192740, CS-W005527, DS-7456, AJ-73847, AK141930, CJ-16176, ST2406550, 4CH-017246, Z6385, 2(1H)-Quinoxalinone, 7-bromo-3,4-dihydro-, EN300-72989, K-0245, 7-BROMO-3 pound not4-DIHYDROQUINOXALIN-2(1H)-ONE, C8H7BrN2O, 7-bromo-3,4-dihydro-2(1h)-quinoxalinone, ACN-028974,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.974g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	227.061g/mol
Monoisotopic Mass	225.974g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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