AG00IMN4

1956309-69-5 | 1-(5-Bromopyrimidin-2-yl)-1H-benzo[d]imidazol-2(3H)-one

AG00IMN4

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CAS Number	1956309-69-5
Catalog Number	AG00IMN4(AGN-PC-0WANA0)
Chemical Name	1-(5-Bromopyrimidin-2-yl)-1H-benzo[d]imidazol-2(3H)-one
IUPAC Name	3-(5-bromopyrimidin-2-yl)-1H-benzimidazol-2-one
InChI	InChI=1S/C11H7BrN4O/c12-7-5-13-10(14-6-7)16-9-4-2-1-3-8(9)15-11(16)17/h1-6H,(H,15,17)
InChI Key	GCTJOJARNWILKM-UHFFFAOYSA-N
MDL Number	MFCD27923707
Molecular Formula	C11H7BrN4O
Molecular Weight	291.1035
SMILES	O=C1N(C2=NC=C(Br)C=N2)C3=CC=CC=C3N1
Synonyms	1-(5-Bromopyrimidin-2-yl)-1H-benzo[d]imidazol-2(3H)-one, 1956309-69-5, KS-00000S3F, MFCD27923707, ZINC95930561, AKOS022178425, DS-8318, AK145718, AJ-136437, 3-(5-bromopyrimidin-2-yl)-1H-benzimidazol-2-one,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	289.98g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	291.108g/mol
Monoisotopic Mass	289.98g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.1A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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