AG00CLZV

404010-98-6 | 4-Morpholino-2-nitrobenzoic acid

AG00CLZV

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CAS Number	404010-98-6
Catalog Number	AG00CLZV(AGN-PC-07HBXM)
Chemical Name	4-Morpholino-2-nitrobenzoic acid
IUPAC Name	4-morpholin-4-yl-2-nitrobenzoic acid
InChI	InChI=1S/C11H12N2O5/c14-11(15)9-2-1-8(7-10(9)13(16)17)12-3-5-18-6-4-12/h1-2,7H,3-6H2,(H,14,15)
InChI Key	XTCFTNJWMQVACD-UHFFFAOYSA-N
MDL Number	MFCD12198419
Molecular Formula	C11H12N2O5
Molecular Weight	252.2234
SMILES	O1CCN(CC1)C2=CC(=C(C(=O)O)C=C2)[N+](=O)[O-]
Synonyms	404010-98-6, 4-Morpholin-4-yl-2-nitrobenzoic acid, 4-Morpholino-2-nitrobenzoic acid, 4-(MORPHOLIN-4-YL)-2-NITROBENZOIC ACID, AK-41077, SCHEMBL1370884, CTK8B5914, KS-00000IHU, DTXSID20672546, ANW-51057, MFCD12198419, ZINC71787938, AKOS015920003, DS-1067, ABA-7727152, BR-41077, AB0024755, AJ-118518, AX8169833, TC-139802, 4CH-009319, ST24029182, W6088, S-3883, 4-morpholino-2-nitro-benzoic acid, C11H12N2O5,

Complexity	324
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.075g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	252.226g/mol
Monoisotopic Mass	252.075g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	95.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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