AG00C76I

400822-47-1 | Benzaldehyde, 4-bromo-3,5-dimethyl-

AG00C76I

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CAS Number	400822-47-1
Catalog Number	AG00C76I(AGN-PC-03MYEG)
Chemical Name	Benzaldehyde, 4-bromo-3,5-dimethyl-
IUPAC Name	4-bromo-3,5-dimethylbenzaldehyde
InChI	InChI=1S/C9H9BrO/c1-6-3-8(5-11)4-7(2)9(6)10/h3-5H,1-2H3
InChI Key	USONNBCBJMNJIU-UHFFFAOYSA-N
MDL Number	MFCD08063822
Molecular Formula	C9H9BrO
Molecular Weight	213.0712
SMILES	CC1=CC(C=O)=CC(C)=C1Br
Synonyms	4-Bromo-3,5-dimethylbenzaldehyde, 400822-47-1, Benzaldehyde, 4-bromo-3,5-dimethyl-, Benzaldehyde,4-bromo-3,5-dimethyl-, USONNBCBJMNJIU-UHFFFAOYSA-N, PubChem4166, SCHEMBL1859095, CTK4I2433, DTXSID80624001, 3,5-Dimethyl-4-bromobenzaldehyde, 4-bromo-3,5-dimethyl-benzaldehyde, ACT01071, KS-00000N4O, ANW-72780, BBL100284, MFCD08063822, STL553851, ZINC21982497, 4-bromanyl-3,5-dimethyl-benzaldehyde, AKOS008901175, AM83009, AS05534, CM11836, CS-W006250, LS11284, VZ28507, AJ-79086, AK-25924, AS-19863, BC002731, BC676074, CJ-17054, SC-20475, AB0042688, DB-005336, ST2418183, TC-030828, 4CH-015242, FT-0649396, Z0572, 4-Bromo-3,5-dimethylbenzaldehyde, AldrichCPR, Q-7494, A824909, I01-9471, C9H9BrO, 2-Chloro-5-nitropyrimidine, 4-Bromo-3, 5-Dimethylbenzaldehyde,

Complexity	135
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
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number