AG00BXY0

34328-47-7 | 4-BROMO-3-TRIFLUOROMETHYL-BENZALDEHYDE

AG00BXY0

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CAS Number	34328-47-7
Catalog Number	AG00BXY0(AGN-PC-0NI0ZM)
Chemical Name	4-BROMO-3-TRIFLUOROMETHYL-BENZALDEHYDE
IUPAC Name	4-bromo-3-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C8H4BrF3O/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-4H
InChI Key	JPNOSHZBKVMMSB-UHFFFAOYSA-N
MDL Number	MFCD08059130
Molecular Formula	C8H4BrF3O
Molecular Weight	253.0160
SMILES	O=CC1=CC=C(Br)C(C(F)(F)F)=C1
Synonyms	4-bromo-3-(trifluoromethyl)benzaldehyde, 34328-47-7, Benzaldehyde, 4-bromo-3-(trifluoromethyl)-, 2-Bromo-5-formylbenzotrifluoride, Benzaldehyde,4-bromo-3-(trifluoromethyl)-, 4-BROMO-3-(TRIFLOROMETHYL)BENZALDEHYDE, SCHEMBL5546389, CTK4H2150, KS-00000NZT, DTXSID10479682, JPNOSHZBKVMMSB-UHFFFAOYSA-N, ANW-47947, CL9171, MFCD08059130, SBB101190, ZINC36533313, AKOS015888485, AM61460, AN-1549, AS05544, CM11866, CS-W022099, PS-7447, 4-dibromo-3-(trifluoromethyl)benzaldehyde, AJ-93174, AK-61774, BR-61774, CJ-18960, SC-14217, AB0024337, DB-068968, ST2411194, TC-061679, 3-TRIFLUOROMETHYL-4-BROMOBENZALDEHYDE, 4CH-002944, FT-0746419, W5583, A-2666, 4-Bromo-3-(trifluoromethyl)benzaldehyde, AldrichCPR, I01-10790, C8H4BrF3O, ACN-050432, 4-BROMO-3-TRIFLUOROMETHYL-BENZALDEHYDE,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.94g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	253.018g/mol
Monoisotopic Mass	251.94g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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