AG008CED

88111-74-4 | 4-Bromo-2,5-dimethylbenzaldehyde

AG008CED

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CAS Number	88111-74-4
Catalog Number	AG008CED(AGN-PC-00KZGG)
Chemical Name	4-Bromo-2,5-dimethylbenzaldehyde
IUPAC Name	4-bromo-2,5-dimethylbenzaldehyde
InChI	InChI=1S/C9H9BrO/c1-6-4-9(10)7(2)3-8(6)5-11/h3-5H,1-2H3
InChI Key	ZTZFGJSUCDDCRK-UHFFFAOYSA-N
MDL Number	MFCD16295236
Molecular Formula	C9H9BrO
Molecular Weight	213.0712
SMILES	O=CC1=CC(C)=C(Br)C=C1C
Synonyms	4-bromo-2,5-dimethylbenzaldehyde, 88111-74-4, Benzaldehyde, 4-bromo-2,5-dimethyl-, SCHEMBL3847770, CTK3B7736, DTXSID10519395, ZTZFGJSUCDDCRK-UHFFFAOYSA-N, 4-bromo-2,5-dimethyl-benzaldehyde, MFCD16295236, ZINC39399805, AKOS013504956, AJ-100179, ST24043340, Z0977, Q-7493, C9H9BrO,

Complexity	147
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	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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