Nitroterephthalic acid

Catalog Number	ACM610297-2
CAS	610-29-7
Structure
Synonyms	2-NitroterephthalicAcid
IUPAC Name	2-nitroterephthalic acid
Molecular Weight	211.13
Molecular Formula	C8H5NO6
Canonical SMILES	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
InChI	InChI=1S/C8H5NO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
InChI Key	QUMITRDILMWWBC-UHFFFAOYSA-N
Melting Point	295 °C
Purity	99%
Appearance	Pale yellow solid
Complexity	296
Covalently-Bonded Unit Count	1
EC Number	210-217-4
Exact Mass	211.011687g/mol
Formal Charge	0
Heavy Atom Count	15
MDL Number	MFCD00007141
Monoisotopic Mass	211.011687g/mol
Rotatable Bond Count	2