2-Amino-3-fluorobenzyl Alcohol - CAS 906811-49-2

Catalog:	BB039927
Product Name:	2-Amino-3-fluorobenzyl Alcohol
CAS:	906811-49-2
Synonyms:	(2-amino-3-fluorophenyl)methanol; (2-amino-3-fluorophenyl)methanol

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Computed Properties

IUPAC Name:	(2-amino-3-fluorophenyl)methanol
Description:	2-Amino-3-fluorobenzyl Alcohol (CAS# 906811-49-2) is a useful research chemical.
Molecular Weight:	141.14
Molecular Formula:	C7H8FNO
Canonical SMILES:	C1=CC(=C(C(=C1)F)N)CO
InChI:	InChI=1S/C7H8FNO/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4,9H2
InChI Key:	INHMLQNOOUDYIQ-UHFFFAOYSA-N
LogP:	1.48140

Publication Number	Title	Priority Date
CN-112876470-A	Method for synthesizing quinazolinone compound under nonmetal catalysis without additive	20191129
AU-2015226855-A1	Human plasma kallikrein inhibitors	20140307
CN-106257976-A	Human plasma kallikrein inhibitor	20140307
EP-3113772-A1	Human plasma kallikrein inhibitors	20140307
JP-2017507160-A	Human plasma kallikrein inhibitor	20140307

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GHS Hazard Statement:	H302 (100%): 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:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.058992041
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	141.058992041
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1