AG00BZBQ

35674-27-2 | 4-Iodo-3-nitrobenzoic acid

AG00BZBQ

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CAS Number	35674-27-2
Catalog Number	AG00BZBQ(AGN-PC-004EAG)
Chemical Name	4-Iodo-3-nitrobenzoic acid
IUPAC Name	4-iodo-3-nitrobenzoic acid
InChI	InChI=1S/C7H4INO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
InChI Key	DNMTZLCNLAIKQC-UHFFFAOYSA-N
MDL Number	MFCD00502399
Molecular Formula	C7H4INO4
Molecular Weight	293.0154
SMILES	IC1=C(C=C(C(=O)O)C=C1)[N+](=O)[O-]
Synonyms	4-iodo-3-nitrobenzoic acid, 35674-27-2, 4-Iodo-3-nitrobenzoicacid, 3-Nitro-4-iodobenzoic acid, 4-iodo-3-nitro-benzoic Acid, Benzoic acid, 4-iodo-3-nitro-, MFCD00502399, PubChem13471, ACMC-209z8y, AC1Q72SD, SCHEMBL1766442, CTK3J7654, DTXSID70458857, DNMTZLCNLAIKQC-UHFFFAOYSA-N, ACT08154, KS-00000O5R, ZINC2566454, 4-IODO-3-NITRO BENZOIC ACID, ANW-49952, SBB063571, AKOS009462959, AS04550, CS-W002638, LS10177, MCULE-1086274318, RL03348, VZ35481, AC-24894, AJ-41280, AK-73096, BR-73096, DS-15299, SC-03550, SY030127, AB0024443, AB1006752, DB-069246, RT-003946, ST2418420, A6228, FT-0652335, I0980, W5719, EN300-66543, S-1994, 674I272, I01-2171, J-515559, Z1238477786, null, C7H4INO4, 4-Iodo-3-nitrobenzoic acid, 97% 5g, CID11208598,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	292.919g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	293.016g/mol
Monoisotopic Mass	292.919g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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

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