AG0037TG

477535-41-4 | 3-Bromo-5-(trifluoromethyl)benzaldehyde

AG0037TG

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CAS Number	477535-41-4
Catalog Number	AG0037TG(AGN-PC-00TXVP)
Chemical Name	3-Bromo-5-(trifluoromethyl)benzaldehyde
IUPAC Name	3-bromo-5-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C8H4BrF3O/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-4H
InChI Key	PCRLZGCXLNNMFL-UHFFFAOYSA-N
MDL Number	MFCD08059506
Molecular Formula	C8H4BrF3O
Molecular Weight	253.0160
SMILES	O=Cc1cc(Br)cc(c1)C(F)(F)F
Synonyms	3-Bromo-5-(trifluoromethyl)benzaldehyde, 477535-41-4, 3-BROMO-5-TRIFLUOROMETHYLBENZALDEHYDE, 3-Bromo-5-Trifluoromethyl benzaldehyde, Benzaldehyde, 3-bromo-5-(trifluoromethyl)-, MFCD08059506, 3-Bromo-5-trifluoromethyl-benzaldehyde, 3-(TRIFLUOROMETHYL)-5-BROMOBENZALDEHYDE, PubChem16131, ACMC-209kad, KSC496E1R, SCHEMBL344606, 3-Bromo-5-formylbenzotrifluoride, CTK3J6218, DTXSID40583029, PCRLZGCXLNNMFL-UHFFFAOYSA-N, KS-00000M2X, ANW-30563, CL8310, SBB101195, WT1696, ZINC15442972, AKOS005257827, AB43122, AM61559, PF11050, PS-7448, QC-7614, RP29012, RTR-017551, VZ26454, 5-bromo-3-(trifluoromethyl)benzaldehyde, AJ-67451, AK-26015, BC004077, BP-13122, BR-26015, CJ-15132, SC-92266, SY021846, AB0028171, DB-011156, ST2417547, TR-017551, FT-0644722, X0214, MFCD08059506 (95%), A23108, B-2427, 3-Bromo-5-(trifluoromethyl)benzaldehyde, AldrichCPR, I01-4440, J-511979, 477535-41-4 3-bromo-5-trifluoromethylbenzaldehyde, C8H4BrF3O, 3-BROMO-5- BENZALDEHYDE, 3-bromo-5-trifluoromethy-benzaldehyde, B4974,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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