AG001TH6

162848-25-1 | 3-Nitro-4-(1h-pyrazol-1-yl)benzoic acid

AG001TH6

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CAS Number	162848-25-1
Catalog Number	AG001TH6(AGN-PC-0K5VGQ)
Chemical Name	3-Nitro-4-(1h-pyrazol-1-yl)benzoic acid
IUPAC Name	3-nitro-4-pyrazol-1-ylbenzoic acid
InChI	InChI=1S/C10H7N3O4/c14-10(15)7-2-3-8(9(6-7)13(16)17)12-5-1-4-11-12/h1-6H,(H,14,15)
InChI Key	YPKLOOQBMQJXKS-UHFFFAOYSA-N
MDL Number	MFCD00141982
Molecular Formula	C10H7N3O4
Molecular Weight	233.1803
SMILES	OC(=O)C1=CC(=C(C=C1)N1C=CC=N1)[N+]([O-])=O
Synonyms	162848-25-1, 3-NITRO-4-(1H-PYRAZOL-1-YL)BENZOIC ACID, 3-Nitro-4-(1-pyrazolyl)benzoic Acid, 3-nitro-4-pyrazol-1-ylbenzoic acid, AC1LS7UV, Oprea1_003080, MLS000755407, SCHEMBL4254004, CHEMBL1725683, CTK5I2612, KS-00000CGJ, DTXSID80363286, HMS2614O23, ZINC1397309, 3-Nitro-4-(1-pyrazolyl)benzoicAcid, 8262AA, MFCD00141982, AKOS000151259, 1G-450S, MCULE-3832579433, TRA0030944, AJ-25598, BC419712, SMR000337787, SY004891, AB0050801, AB1000266, AX8173671, DB-014509, TC-307466, FT-0701554, Benzoic acid, 3-nitro-4-(1H-pyrazol-1-yl)-, K-5086, MFCD00141982 (97+%), 3-nitro-4-(1H-pyrazol-1-yl)benzenecarboxylic acid, null, C10H7N3O4, 3-nitro-4-pyrazol-1-yl-benzoic Acid, CID1483731, 17404-90-9,

Complexity	317
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.044g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	233.183g/mol
Monoisotopic Mass	233.044g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

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