AG002GKU

18791-78-1 | 3-Thiophenecarboxaldehyde, 4-bromo-

AG002GKU

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CAS Number	18791-78-1
Catalog Number	AG002GKU(AGN-PC-0KKQ2S)
Chemical Name	3-Thiophenecarboxaldehyde, 4-bromo-
IUPAC Name	4-bromothiophene-3-carbaldehyde
InChI	InChI=1S/C5H3BrOS/c6-5-3-8-2-4(5)1-7/h1-3H
InChI Key	ZDVHJQOCVBTMOF-UHFFFAOYSA-N
MDL Number	MFCD01318960
Molecular Formula	C5H3BrOS
Molecular Weight	191.0457
SMILES	c1c(c(cs1)C=O)Br
Synonyms	4-bromothiophene-3-carbaldehyde, 18791-78-1, 3-Bromo-4-formylthiophene, 4-Bromothiophene-3-carboxaldehyde, 4-BROMO-3-THIOPHENECARBALDEHYDE, 3-Thiophenecarboxaldehyde, 4-bromo-, MFCD01318960, 4-Bromo-3-thenaldehyde, ACMC-1BP1V, 3-Formyl-4-bromothiophene, AC1MC9G7, 4-bromo-3-thiophenealdehyde, SCHEMBL1244775, CTK4D9660, KS-00000NID, 4-bromo-thiophene-3-carbaldehyde, DTXSID30377358, 4-BROMO-3-FORMYLTHIOPHENE, ZDVHJQOCVBTMOF-UHFFFAOYSA-N, 3-Thiophenecarboxaldehyde,4-bromo-, ACT07257, BCP25608, ZINC2245228, ANW-23377, SBB091234, AKOS005070902, AB08778, CS-W006503, QC-5982, RP11292, 4-BROMO-3-THIOPHENECARBOXALDEHYDE, AJ-34476, AK-33868, BP-11055, CJ-08068, SC-08348, AB0051974, DB-002498, TX-010962, B4126, FT-0646971, V3993, B90017, C-1313, 6Y-0850, 791B781, I09-1999, J-514844, C5H3BrOS, ZINC02245228, CID2764207, A4154,

Complexity	96.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.909g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.042g/mol
Monoisotopic Mass	189.909g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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