2-Amino-3-fluorobenzoic Acid - CAS 825-22-9

Catalog:	BB036849
Product Name:	2-Amino-3-fluorobenzoic Acid
CAS:	825-22-9
Synonyms:	2-amino-3-fluorobenzoic acid; 2-amino-3-fluorobenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-amino-3-fluorobenzoic acid
Description:	2-Amino-3-fluorobenzoic Acid (CAS# 825-22-9) is a useful research chemical.
Molecular Weight:	155.13
Molecular Formula:	C7H6FNO2
Canonical SMILES:	C1=CC(=C(C(=C1)F)N)C(=O)O
InChI:	InChI=1S/C7H6FNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)
InChI Key:	KUHAYJJXXGBYBW-UHFFFAOYSA-N
Boiling Point:	294.4 °C at 760 mmHg
Density:	1.43 g/cm³
MDL:	MFCD01569395
LogP:	1.68730

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GHS Hazard Statement:	H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.03825660
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	155.03825660
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4