AG00CIUB

372120-55-3 | 3-BROMO-4-TRIFLUOROMETHYLBENZALDEHYDE

AG00CIUB

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CAS Number	372120-55-3
Catalog Number	AG00CIUB(AGN-PC-0WNQC4)
Chemical Name	3-BROMO-4-TRIFLUOROMETHYLBENZALDEHYDE
IUPAC Name	3-bromo-4-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C8H4BrF3O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-4H
InChI Key	MWYYNBYTVFKXSD-UHFFFAOYSA-N
MDL Number	MFCD13185384
Molecular Formula	C8H4BrF3O
Molecular Weight	253.0160
SMILES	C(F)(F)(F)c1c(Br)cc(cc1)C=O
Synonyms	3-bromo-4-(trifluoromethyl)benzaldehyde, 372120-55-3, 3-BROMO-4-TRIFLUOROMETHYLBENZALDEHYDE, AK-94378, SCHEMBL7147339, CTK8B6156, DTXSID60467317, MWYYNBYTVFKXSD-UHFFFAOYSA-N, ZX-AP009780, 4750AB, ANW-52867, CL8304, MFCD13185384, ZINC34584514, AKOS015999915, FCH1380605, PC10671, AJ-89531, AS-46015, AB0087417, AX8231713, TC-141612, ST24022728, X-1440, 3-Bromo-4-(trifluoromethyl)benzaldehyde, AldrichCPR, C8H4BrF3O, CID11482172,

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

Certificate of Analysis

Lot Number