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TRANS-2-(4-BROMOBENZOYL)CYCLOPENTANE-1-CARBOXYLICACID

TRANS-2-(4-BROMOBENZOYL)CYCLOPENTANE-1-CARBOXYLICACID structure

CAS No:
733740-98-2
Formula:
C13H13BrO3
Chemical Name:
TRANS-2-(4-BROMOBENZOYL)CYCLOPENTANE-1-CARBOXYLICACID
Synonyms:
(1R,2R)-2-(4-broMobenzoyl)cyclopentanecarboxylic acid;TRANS-2-(4-BROMOBENZOYL)CYCLOPENTANE-1-CARBOXYLIC ACID;rel-(1R,2R)-2-(4-Bromobenzoyl)cyclopentanecarboxylic acid;Cyclopentanecarboxylic acid, 2-(4-bromobenzoyl)-, (1R,2R)-rel-

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TRANS-2-(4-BROMOBENZOYL)CYCLOPENTANE-1-CARBOXYLICACID Basic Attributes

Molecular Weight：

297.14

Exact Mass：

296.00481

DSSTox ID：

DTXSID10634911

Characteristics

Density：

1.530±0.06 g/cm3

Melting Point：

120-122 °C

Boiling Point：

455.4±40.0 °C(Predicted)

PKA：

4.30±0.40

Computed Properties

Molecular Weight:297.14
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:296.00481
Monoisotopic Mass:296.00481
Topological Polar Surface Area:54.4
Heavy Atom Count:17
Complexity:308
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of TRANS-2-(4-BROMOBENZOYL)CYCLOPENTANE-1-CARBOXYLICACID

Basic Attributes
Characteristics
Computed Properties

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