AG0039J3

881676-32-0 | 5-bromo-1h-pyrrole-3-carbaldehyde

AG0039J3

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CAS Number	881676-32-0
Catalog Number	AG0039J3(AGN-PC-0BY8PM)
Chemical Name	5-bromo-1h-pyrrole-3-carbaldehyde
IUPAC Name	5-bromo-1H-pyrrole-3-carbaldehyde
InChI	InChI=1S/C5H4BrNO/c6-5-1-4(3-8)2-7-5/h1-3,7H
InChI Key	XTLHTMDWLYWDEO-UHFFFAOYSA-N
MDL Number	MFCD11875943
Molecular Formula	C5H4BrNO
Molecular Weight	173.9954
SMILES	BrC1=CC(=CN1)C=O
Synonyms	5-Bromo-1H-pyrrole-3-carbaldehyde, 881676-32-0, 1H-Pyrrole-3-carboxaldehyde, 5-bromo-, 5-bromo-1h-pyrrole-3-carboxaldehyde, 2-bromo-4-formylpyrrole, SCHEMBL1156796, XTLHTMDWLYWDEO-UHFFFAOYSA-N, 1H-Pyrrole-3-carbaldehyde,5-bromo-, MFCD11875943, ZINC88189911, AKOS022190024, SY225462, AJ-128159, ST2401906, 4CH-000428, CS-0060104, MFCD11875943 (95%), A1-06965, ACN-030233,

Complexity	96.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.948g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	173.997g/mol
Monoisotopic Mass	172.948g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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