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(αR,2S)-α-(Aminomethyl)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol

(αR,2S)-α-(Aminomethyl)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol structure

CAS No:
303176-42-3
Formula:
C11H14FNO2
Chemical Name:
(αR,2S)-α-(Aminomethyl)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol
Synonyms:
2H-1-Benzopyran-2-methanol,α-(aminomethyl)-6-fluoro-3,4-dihydro-,(αR,2S)-;(αR,2S)-α-(Aminomethyl)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol

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(αR,2S)-α-(Aminomethyl)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol Basic Attributes

Molecular Weight：

211.23

Exact Mass：

211.23

DSSTox ID：

DTXSID70466518

Characteristics

PSA：

55.48000

XLogP3：

1.53920

Density：

1?+-.0.06 g/cm3

Melting Point：

97-100 °C

Boiling Point：

383.5±37.0 °C(Predicted)

PKA：

12.68±0.35

(αR,2S)-α-(Aminomethyl)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol Use and Manufacturing

(+)-Nebivolol intermediate.

Computed Properties

Molecular Weight:211.23
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:211.10085685
Monoisotopic Mass:211.10085685
Topological Polar Surface Area:55.5
Heavy Atom Count:15
Complexity:215
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: sodium hypochlorite formula; ethyl acetate sds; pyrazine; magnesium phosphate; iron 3 oxide; hydroxylamine

Guide of (αR,2S)-α-(Aminomethyl)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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