AG002KKY

210115-30-3 | 3-(3-Bromophenyl)Propanal

AG002KKY

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CAS Number	210115-30-3
Catalog Number	AG002KKY(AGN-PC-03EE5U)
Chemical Name	3-(3-Bromophenyl)Propanal
IUPAC Name	3-(3-bromophenyl)propanal
InChI	InChI=1S/C9H9BrO/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5-7H,2,4H2
InChI Key	ZULVLUNCIBAQRZ-UHFFFAOYSA-N
MDL Number	MFCD09028602
Molecular Formula	C9H9BrO
Molecular Weight	213.0712
SMILES	O=CCCC1=CC=CC(Br)=C1
Synonyms	3-(3-bromophenyl)propanal, 210115-30-3, Benzenepropanal,3-bromo-, 3-(3-BROMO-PHENYL)-PROPIONALDEHYDE, SCHEMBL419919, CTK4E5665, KS-00001DNH, 3-(3-bromophenyl)propionaldehyde, DTXSID50616958, BENZENEPROPANAL, 3-BROMO-, ZULVLUNCIBAQRZ-UHFFFAOYSA-N, 3-(3'-Bromophenyl)propionaldehyde, CS-B0312, MFCD09028602, ZINC19682856, AKOS011897925, AB49239, AS-44220, SC-61920, 3- -PROPIONALDEHYDE,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.984g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.074g/mol
Monoisotopic Mass	211.984g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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