AG001AUD

1393561-99-3 | Benzoic acid, 3-fluoro-5-formyl-, methyl ester

AG001AUD

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	1393561-99-3
Catalog Number	AG001AUD(AGN-PC-0WAFR5)
Chemical Name	Benzoic acid, 3-fluoro-5-formyl-, methyl ester
IUPAC Name	methyl 3-fluoro-5-formylbenzoate
InChI	InChI=1S/C9H7FO3/c1-13-9(12)7-2-6(5-11)3-8(10)4-7/h2-5H,1H3
InChI Key	VLFQXVIURJDHTO-UHFFFAOYSA-N
MDL Number	MFCD22544332
Molecular Formula	C9H7FO3
Molecular Weight	182.1485
SMILES	O=C(OC)C1=CC(C=O)=CC(F)=C1
Synonyms	METHYL 3-FLUORO-5-FORMYLBENZOATE, 1393561-99-3, Methyl3-Fluoro-5-formylbenzoate, KS-00000B2O, 7031AJ, MFCD22544332, ZINC95764425, AKOS025243879, AB77640, TRA0027333, AS-32551, DA-10817, SY026332, FT-0715583, Z-3668, Benzoic acid, 3-fluoro-5-formyl-, methyl ester, MFCD22544332 (97+%), C9H7FO3,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.15g/mol
Monoisotopic Mass	182.038g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number