AG000RHH

1260876-31-0 | 5-Bromo-1H-Imidazole-2-Carbaldehyde

AG000RHH

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CAS Number	1260876-31-0
Catalog Number	AG000RHH(AGN-PC-0WD35Q)
Chemical Name	5-Bromo-1H-Imidazole-2-Carbaldehyde
IUPAC Name	5-bromo-1H-imidazole-2-carbaldehyde
InChI	InChI=1S/C4H3BrN2O/c5-3-1-6-4(2-8)7-3/h1-2H,(H,6,7)
InChI Key	WLPRJSFHTBGZGK-UHFFFAOYSA-N
MDL Number	MFCD09842487
Molecular Formula	C4H3BrN2O
Molecular Weight	174.9834
SMILES	O=CC1=NC=C(Br)N1
Synonyms	5-Bromo-1H-imidazole-2-carbaldehyde, 1260876-31-0, 4-bromo-1H-imidazole-2-carbaldehyde, SCHEMBL16760128, DTXSID70716888, WLPRJSFHTBGZGK-UHFFFAOYSA-N, ZINC95830120, AKOS006229527, AKOS022174101, FCH4162374, 1H-Imidazole-2-carboxaldehyde, 5-bromo-, AJ-134262, AX8259975, CS-0054331,

Complexity	98
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.943g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	174.985g/mol
Monoisotopic Mass	173.943g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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