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3-FLUOROMANDELICACID

3-FLUOROMANDELICACID structure

CAS No:
395-05-1
Formula:
C8H7FO3
Chemical Name:
3-FLUOROMANDELICACID
Synonyms:
3-FLUOROMANDELIC ACID;Nsc73991;2-(3-Fluorophenyl)-2-hydroxyacetic acid;3-Fluoro-a-hydroxy-benzeneacetic acid;(3-Fluoro-phenyl)-hydroxy-acetic acid;Benzeneacetic acid, 3-fluoro-α-hydroxy-
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-FLUOROMANDELICACID Basic Attributes

Molecular Weight：

170.14

Exact Mass：

170.03792224 g/mol

NSC Number：

73991

Characteristics

PSA：

57.5 Å²

Density：

1.425±0.06 g/cm3

Melting Point：

100°C

Boiling Point：

125 °C(Press: 2.5 Torr)

PKA：

3.26±0.10

Safety Information

Hazard category：

IRRITANT

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:170.14
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:170.03792224
Monoisotopic Mass:170.03792224
Topological Polar Surface Area:57.5
Heavy Atom Count:12
Complexity:172
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Fluoromandelic acid

CAS No.: 395-05-1

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