AG002HCH

188813-04-9 | Benzaldehyde, 3-bromo-5-methyl-

AG002HCH

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CAS Number	188813-04-9
Catalog Number	AG002HCH(AGN-PC-013PC6)
Chemical Name	Benzaldehyde, 3-bromo-5-methyl-
IUPAC Name	3-bromo-5-methylbenzaldehyde
InChI	InChI=1S/C8H7BrO/c1-6-2-7(5-10)4-8(9)3-6/h2-5H,1H3
InChI Key	DMSLPBFUZSQMQT-UHFFFAOYSA-N
MDL Number	MFCD09836680
Molecular Formula	C8H7BrO
Molecular Weight	199.0446
SMILES	C(=O)c1cc(Br)cc(c1)C
Synonyms	3-BROMO-5-METHYLBENZALDEHYDE, 188813-04-9, Benzaldehyde, 3-bromo-5-methyl-, 3-bromo-5-methyl-benzaldehyde, PubChem16400, SCHEMBL1996468, CTK3J4467, KS-00000HRA, 3-bromanyl-5-methyl-benzaldehyde, DTXSID30586362, DMSLPBFUZSQMQT-UHFFFAOYSA-N, ACT03527, ANW-73897, CL8308, MFCD09836680, ZINC66325563, AKOS005068130, AB53369, AM84046, CS-W005073, GS-3684, QC-9964, RP25660, 3-Bromo-5-methylbenzaldehyde, AldrichCPR, AK-48923, AN-30430, BC004108, BC658842, CJ-21281, SC-44975, AB0042441, AJ-115998, DB-011154, RT-002031, A4173, FT-0614523, FT-0765018, ST24028453, Z0313, Q-7472, A813269, I01-7919, J-400349, C8H7BrO, ACN-046628,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.968g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.047g/mol
Monoisotopic Mass	197.968g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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