AG0037US

41498-07-1 | 4-Bromo-5-nitro-2-thiophenecarboxaldehyde

AG0037US

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CAS Number	41498-07-1
Catalog Number	AG0037US(AGN-PC-03H6Z6)
Chemical Name	4-Bromo-5-nitro-2-thiophenecarboxaldehyde
IUPAC Name	4-bromo-5-nitrothiophene-2-carbaldehyde
InChI	InChI=1S/C5H2BrNO3S/c6-4-1-3(2-8)11-5(4)7(9)10/h1-2H
InChI Key	VVTSZQWGTDZBFV-UHFFFAOYSA-N
MDL Number	MFCD11865195
Molecular Formula	C5H2BrNO3S
Molecular Weight	236.0433
SMILES	O=Cc1cc(c(s1)[N+](=O)[O-])Br
Synonyms	41498-07-1, 4-bromo-5-nitrothiophene-2-carbaldehyde, 4-Bromo-5-nitro-2-thiophenecarboxaldehyde, 4-Bromo-5-Nitrothiophene-2-Carboxaldehyde, 4-bromo-5-nitro-thiophene-2-carbaldehyde, 2-Thiophenecarboxaldehyde,4-bromo-5-nitro-, 2-Thiophenecarboxaldehyde, 4-bromo-5-nitro-, PubChem20893, KSC496E1B, SCHEMBL947371, CTK3J6210, KS-00000RPK, DTXSID80619452, VVTSZQWGTDZBFV-UHFFFAOYSA-N, ACT06629, MFCD11865195, SBB066355, ZINC36533235, AKOS015897460, AC-7478, AN-8963, DS-5812, QC-6765, AJ-93147, AK137250, BC004605, BC684647, CJ-18953, AB0064086, RT-002904, 4-bromanyl-5-nitro-thiophene-2-carbaldehyde, FT-0653776, W-4428, A825572, I09-0044, Q-100468,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.894g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	236.039g/mol
Monoisotopic Mass	234.894g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	91.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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