AG0071CF

42860-06-0 | 4-Bromo-3-iodobenzoic acid

AG0071CF

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CAS Number	42860-06-0
Catalog Number	AG0071CF(AGN-PC-00DQPV)
Chemical Name	4-Bromo-3-iodobenzoic acid
IUPAC Name	4-bromo-3-iodobenzoic acid
InChI	InChI=1S/C7H4BrIO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChI Key	VRRRMWPFDXNFBX-UHFFFAOYSA-N
MDL Number	MFCD12406813
Molecular Formula	C7H4BrIO2
Molecular Weight	326.9139
SMILES	OC(=O)C1=CC(I)=C(Br)C=C1
Synonyms	4-Bromo-3-iodobenzoic acid, 42860-06-0, 4-bromo-3-iodo-benzoic Acid, 3-IODO-4-BROMOBENZOIC ACID, SCHEMBL13642464, Benzoic acid, 4-bromo-3-iodo-, CTK4I6705, KS-00000OUT, DTXSID30470318, VRRRMWPFDXNFBX-UHFFFAOYSA-N, ANW-68750, MFCD12406813, ZINC38214162, AKOS015835310, AS06467, CB-2723, CM10859, CS-W007229, RL03655, AJ-94659, AK-64714, AS-19198, TC-060757, FT-0713693, X5290, Z-8206, AS-813/43501552, J-514731, C7H4BrIO2, CID11667015,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	325.844g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	326.915g/mol
Monoisotopic Mass	325.844g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number