AG00AB0L

171050-06-9 | 3-Cyano-4-fluorobenzoic acid

AG00AB0L

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	171050-06-9
Catalog Number	AG00AB0L(AGN-PC-0KKVSM)
Chemical Name	3-Cyano-4-fluorobenzoic acid
IUPAC Name	3-cyano-4-fluorobenzoic acid
InChI	InChI=1S/C8H4FNO2/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-3H,(H,11,12)
InChI Key	JMHGATOBRPWPBZ-UHFFFAOYSA-N
MDL Number	MFCD03094339
Molecular Formula	C8H4FNO2
Molecular Weight	165.1213
SMILES	C(#N)c1cc(C(=O)O)ccc1F
Synonyms	3-cyano-4-fluorobenzoic acid, 171050-06-9, 3-cyano-4-fluoro-benzoic Acid, Benzoic acid, 3-cyano-4-fluoro-, 4-Fluoro-3-cyanobenzoic acid, PubChem4601, AC1MCNOG, cyano-4-fluorobenzoic acid, SCHEMBL356343, 5-Carboxy-2-fluorobenzonitrile, CS-WAA0109, Benzoicacid, 3-cyano-4-fluoro-, CTK0H3624, DTXSID10378782, JMHGATOBRPWPBZ-UHFFFAOYSA-N, ACT12200, KS-00000NL2, ZINC2243241, ANW-46882, MFCD03094339, RW3078, SBB087879, AKOS015912376, AN-4928, NE12334, PS-6754, QC-2037, RP22776, 3-cyano-4-fluorobenzoic acid, AldrichCPR, AC-26032, AJ-34263, AK-33663, SC-01663, SY013919, AB0022797, DB-064806, RT-019672, ST2405040, CS-0035061, FT-0687138, W3729, MFCD03094339 (95%), A20252, I14-35963, Z1895583523, C8H4FNO2, CID2773932, 99-04-7,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.023g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	165.123g/mol
Monoisotopic Mass	165.023g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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