AG00CQXH

408359-07-9 | 3-Bromo-1H-pyrrole-2-carbaldehyde

AG00CQXH

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CAS Number	408359-07-9
Catalog Number	AG00CQXH(AGN-PC-0WCKUF)
Chemical Name	3-Bromo-1H-pyrrole-2-carbaldehyde
IUPAC Name	3-bromo-1H-pyrrole-2-carbaldehyde
InChI	InChI=1S/C5H4BrNO/c6-4-1-2-7-5(4)3-8/h1-3,7H
InChI Key	LQCFDVADSYYMLI-UHFFFAOYSA-N
MDL Number	MFCD12024313
Molecular Formula	C5H4BrNO
Molecular Weight	173.9954
SMILES	BrC1=C(NC=C1)C=O
Synonyms	3-Bromo-1H-pyrrole-2-carbaldehyde, 408359-07-9, 3-Bromo-2-formylpyrrole, 3-BROMO-1H-PYRROLE-2-CARBOXALDEHYDE, bromopyrrole aldehyde, 1H-Pyrrole-2-carboxaldehyde, 3-bromo-, SCHEMBL3022802, CTK8C0754, DTXSID90573874, LQCFDVADSYYMLI-UHFFFAOYSA-N, 5568AB, ANW-65224, MFCD12024313, ZINC54965108, AKOS015892925, DS-3993, FCH1167374, PB29916, RL03578, AK102977, AJ-112516, AX8234516, DB-028383, TC-153969, FT-0748263, Q-3892, I04-0733, J-511808, C5H4BrNO,

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
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number