7-Fluoro-3,4-dihydro-2H-1,4-benzoxazine - CAS 56346-41-9

Catalog:	BB029337
Product Name:	7-Fluoro-3,4-dihydro-2H-1,4-benzoxazine
CAS:	56346-41-9
Synonyms:	7-fluoro-3,4-dihydro-2H-1,4-benzoxazine; 7-fluoro-3,4-dihydro-2H-1,4-benzoxazine

Technical Data

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Computed Properties

IUPAC Name:	7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
Description:	7-Fluoro-3,4-dihydro-2H-1,4-benzoxazine (CAS# 56346-41-9) is a useful research chemical.
Molecular Weight:	153.15
Molecular Formula:	C8H8FNO
Canonical SMILES:	C1COC2=C(N1)C=CC(=C2)F
InChI:	InChI=1S/C8H8FNO/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2
InChI Key:	VRBQMPCMLZNPSK-UHFFFAOYSA-N
Boiling Point:	243.664 °C at 760 mmHg
Density:	1.201 g/cm³
MDL:	MFCD11848177
LogP:	1.76800

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Related Functional Groups

Benzoxazines

[939759-05-4]
8-Chloro-3,4-dihydro-2H-1,4-benzoxazine
[154598-52-4]
(S)-6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one
[107624-49-7]
3-Phenyl-3,4-dihydro-2H-1,4-benzoxazin-2-one
[148890-63-5]
5-Amino-2H-benzo[b][1,4]oxazin-3(4H)-one
[52769-11-6]
Octahydro-2H-1,4-benzoxazine
[121564-96-3]
6-Bromo-8-chloro-2H-benzo[b][1,4]oxazin-3(4H)-one

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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:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.058992041
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.058992041
Rotatable Bond Count:	0
Topological Polar Surface Area:	21.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8