AG00IAP1

604000-97-7 | Benzoic acid, 2-fluoro-4-formyl-

AG00IAP1

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CAS Number	604000-97-7
Catalog Number	AG00IAP1(AGN-PC-01W2P0)
Chemical Name	Benzoic acid, 2-fluoro-4-formyl-
IUPAC Name	2-fluoro-4-formylbenzoic acid
InChI	InChI=1S/C8H5FO3/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-4H,(H,11,12)
InChI Key	MBTIUAFUJPATDP-UHFFFAOYSA-N
MDL Number	MFCD12026481
Molecular Formula	C8H5FO3
Molecular Weight	168.1219
SMILES	O=C(O)C1=CC=C(C=O)C=C1F
Synonyms	2-Fluoro-4-formylbenzoic acid, 604000-97-7, 4-Carboxy-3-fluorobenzaldehyde, Benzoic acid, 2-fluoro-4-formyl-, 2-Fluoro-4-formylbenzoic aci, SCHEMBL943028, 2-fluoro-4-formyl-benzoic acid, CTK1J0192, KS-00003RBH, DTXSID30593798, MBTIUAFUJPATDP-UHFFFAOYSA-N, KM0401, MFCD12026481, SBB088141, ZINC36533752, AKOS006281891, PS-8730, AJ-93261, 2-fluoro-4-formylbenzoic acid, AldrichCPR, RT-007767,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.022g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.123g/mol
Monoisotopic Mass	168.022g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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