AG003I8J

64152-09-6 | 4-NITRO-3-METHOXYLCARBONYL BENZOIC ACID

AG003I8J

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	64152-09-6
Catalog Number	AG003I8J(AGN-PC-056LRI)
Chemical Name	4-NITRO-3-METHOXYLCARBONYL BENZOIC ACID
IUPAC Name	3-methoxycarbonyl-4-nitrobenzoic acid
InChI	InChI=1S/C9H7NO6/c1-16-9(13)6-4-5(8(11)12)2-3-7(6)10(14)15/h2-4H,1H3,(H,11,12)
InChI Key	KRACQAXEQJJYLE-UHFFFAOYSA-N
MDL Number	MFCD09026978
Molecular Formula	C9H7NO6
Molecular Weight	225.1550
SMILES	COC(=O)C1=C(C=CC(=C1)C(O)=O)[N+]([O-])=O
Synonyms	3-(Methoxycarbonyl)-4-nitrobenzoic Acid, 64152-09-6, 3-methoxycarbonyl-4-nitrobenzoic acid, 4-Nitro-3-methoxylcarbonyl benzoic acid, PubChem22935, SCHEMBL2722165, CTK5C0824, DTXSID10493227, KRACQAXEQJJYLE-UHFFFAOYSA-N, KS-00000CH6, 9822AB, ANW-56664, MFCD09026978, ZINC14985763, AKOS015904492, 3-(methoxycarbonyl)-4-nitrobenzoicacid, 3-methoxycarbonyl-4-nitro-benzoic acid, AC-7341, AN-9088, QC-2879, TRA0073464, AJ-66422, AK-82520, AS-31166, SC-37818, SY005792, AB0058248, AX8099410, TX-017077, FT-0690082, A24306, W-2934, MFCD09026978 (97+%), I14-17419, 1,3-Benzenedicarboxylicacid, 4-nitro-, 3-methyl ester, C9H7NO6, 4-NITRO-3-METHOXYLCARBONYLBENZOICACID,

Complexity	310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.027g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.156g/mol
Monoisotopic Mass	225.027g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	109A^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

Certificate of Analysis

Lot Number