AG00HRV3

1289043-16-8 | 2-Fluoro-3-formylbenzoic acid

AG00HRV3

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CAS Number	1289043-16-8
Catalog Number	AG00HRV3(AGN-PC-0WR4C1)
Chemical Name	2-Fluoro-3-formylbenzoic acid
IUPAC Name	2-fluoro-3-formylbenzoic acid
InChI	InChI=1S/C8H5FO3/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-4H,(H,11,12)
InChI Key	YJTYMNFESVPEKM-UHFFFAOYSA-N
MDL Number	MFCD20526383
Molecular Formula	C8H5FO3
Molecular Weight	168.1219
SMILES	O=C(O)C1=CC=CC(C=O)=C1F
Synonyms	2-Fluoro-3-formylbenzoic acid, 1289043-16-8, SCHEMBL1060043, MFCD20526383, ZINC75927699, AKOS023127052, PS-11640, Q-8865, C8H5FO3, Z0021,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H335-H315-H302-H319
Packing Group	\N
Precautionary statements	P260-P301+P312-P280
UN Code	\N

Certificate of Analysis

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