AG003FMK

633-12-5 | 2,4,6-Tribromobenzoic acid

AG003FMK

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CAS Number	633-12-5
Catalog Number	AG003FMK(AGN-PC-0JOJDL)
Chemical Name	2,4,6-Tribromobenzoic acid
IUPAC Name	2,4,6-tribromobenzoic acid
InChI	InChI=1S/C7H3Br3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
InChI Key	GHVMJSHEGZYRQL-UHFFFAOYSA-N
MDL Number	MFCD00059882
Molecular Formula	C7H3Br3O2
Molecular Weight	358.8095
NSC Number	59874
SMILES	c1c(cc(c(c1Br)C(=O)O)Br)Br
Synonyms	2,4,6-Tribromobenzoic acid, 633-12-5, Benzoic acid,2,4,6-tribromo-, NSC59874, ACMC-209neq, AC1L6IDK, AC1Q5TDH, 2,4,6-Tribromobenzoicacid, 2,4,6-Tribrom-benzoesaure, 2,4,6-tribromo-benzoic acid, SCHEMBL1884074, CTK5B8586, GHVMJSHEGZYRQL-UHFFFAOYSA-, DTXSID40289216, 2,4,6-tris(bromanyl)benzoic acid, KS-000012BT, ZINC1689841, ANW-34608, MFCD00059882, NSC-59874, AKOS015917382, FS-5752, AC-27923, AJ-30004, TC-123353, TL8004411, FT-0655380, ST24038591, Z0745, Q-8846, A834323, S01-0372, InChI=1/C7H3Br3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12), C7H3Br3O2, AR-1D3034, CID246577, T0619, 7145-65-5,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	357.766g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	358.811g/mol
Monoisotopic Mass	355.768g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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