AG0031KV

30880-72-9 | Benzoic acid, 3-[(2-chloro-4-nitrophenoxy)methyl]-

AG0031KV

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CAS Number	30880-72-9
Catalog Number	AG0031KV(AGN-PC-0R6BOL)
Chemical Name	Benzoic acid, 3-[(2-chloro-4-nitrophenoxy)methyl]-
IUPAC Name	3-[(2-chloro-4-nitrophenoxy)methyl]benzoic acid
InChI	InChI=1S/C14H10ClNO5/c15-12-7-11(16(19)20)4-5-13(12)21-8-9-2-1-3-10(6-9)14(17)18/h1-7H,8H2,(H,17,18)
InChI Key	VMWNQMAQVXLDIL-UHFFFAOYSA-N
MDL Number	MFCD03421912
Molecular Formula	C14H10ClNO5
Molecular Weight	307.6859
NSC Number	146848
SMILES	OC(=O)c1cccc(c1)COc1ccc(cc1Cl)[N+](=O)[O-]
Synonyms	30880-72-9, 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid, BENZOIC ACID,3-[(2-CHLORO-4-NITROPHENOXY)METHYL]-, 3-[(2-chloro-4-nitrophenoxy)methyl]benzoic acid, NSC146848, AC1Q3QKY, AC1L670D, CTK7I8644, ZINC1728963, MFCD03421912, AKOS000308427, DS-8588, NSC-146848, AK174100, KS-00000181, Benzoic acid, 3-[(2-chloro-4-nitrophenoxy)methyl]-, AR-1F0433, CID287272, 31116-49-1,

Complexity	386
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	307.025g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	307.686g/mol
Monoisotopic Mass	307.025g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	92.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number