AG01BBVG

1209460-03-6 | 6-Bromopyrimidine-4-carbonitrile

AG01BBVG

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CAS Number	1209460-03-6
Catalog Number	AG01BBVG
Chemical Name	6-Bromopyrimidine-4-carbonitrile
IUPAC Name	6-bromopyrimidine-4-carbonitrile
InChI	InChI=1S/C5H2BrN3/c6-5-1-4(2-7)8-3-9-5/h1,3H
InChI Key	XWNQUGUXLJMAIB-UHFFFAOYSA-N
MDL Number	MFCD14702810
Molecular Formula	C5H2BrN3
Molecular Weight	183.9935
SMILES	C1=C(N=CN=C1Br)C#N
Synonyms	6-BROMOPYRIMIDINE-4-CARBONITRILE, 1209460-03-6, 4-Pyrimidinecarbonitrile, 6-bromo-, 4-Bromo-6-cyanopyrimidine, ZINC95709460, MB14316,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.943g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	183.996g/mol
Monoisotopic Mass	182.943g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H312-H332
Packing Group	\N
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

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