AG001WDV

16588-16-2 | Benzoic acid, 4-chloro-3-nitro-, ethyl ester

AG001WDV

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	16588-16-2
Catalog Number	AG001WDV(AGN-PC-0K2UJC)
Chemical Name	Benzoic acid, 4-chloro-3-nitro-, ethyl ester
IUPAC Name	ethyl 4-chloro-3-nitrobenzoate
InChI	InChI=1S/C9H8ClNO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3
InChI Key	BLNLZRQIUGDTAO-UHFFFAOYSA-N
MDL Number	MFCD00219621
Molecular Formula	C9H8ClNO4
Molecular Weight	229.6171
SMILES	CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
Synonyms	ethyl 4-chloro-3-nitrobenzoate, 16588-16-2, Benzoic acid, 4-chloro-3-nitro-, ethyl ester, 4-Chloro-3-nitrobenzoic acid ethyl ester, MFCD00219621, 4-Chloro-3-nitro-benzoic Acid Ethyl Ester, ethyl 4-chloranyl-3-nitro-benzoate, ACMC-20a7tu, AC1LOR4L, Ethyl4-chloro-3-nitrobenzoate, SCHEMBL260606, CTK4D2197, ethyl 4-chloro-3-nitro-benzoate, DTXSID00361481, Ethyl-4-chloro-3-nitro-benzoate, BLNLZRQIUGDTAO-UHFFFAOYSA-N, KS-00000N2D, ZINC1081483, 8428AA, ANW-61072, BBL013768, CE-281, ethyl-4-CHLORO-3-NITROBENZOATE, SBB058469, STL168509, AKOS005366925, AC-9048, AN-7432, MCULE-5725042514, VZ32134, 3-Nitro-4-chlorobenzoic acid ethyl ester, AJ-24971, AK-63746, SY041187, ZB015957, DB-043633, ST2419347, TC-149817, 4CH-015190, FT-0626077, H2484, ST50307788, Benzoic acid,4-chloro-3-nitro-, ethyl ester, MFCD00219621 (97%), 82756-EP2298758A1, 82756-EP2298759A1, 82756-EP2305664A1, 82756-EP2305675A1, A810676, A810677, AS-710/43364252, I01-4456, C9H8ClNO4, ZINC01081483, CID1268247,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.014g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	229.616g/mol
Monoisotopic Mass	229.014g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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