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N-(3-Nitro[1,1'-biphenyl]-4-yl)carbaMicAcidtert-ButylEster

N-(3-Nitro[1,1'-biphenyl]-4-yl)carbaMicAcidtert-ButylEster structure

CAS No:
335254-77-8
Formula:
C17H18N2O4
Chemical Name:
N-(3-Nitro[1,1'-biphenyl]-4-yl)carbaMicAcidtert-ButylEster
Synonyms:
N-(3-Nitro[1,1'-biphenyl]-4-yl)carbaMic Acid tert-Butyl Ester;tert-butyl (3-nitro-[1,1'-biphenyl]-4-yl)carbamate;Carbamic acid, N-(3-nitro[1,1'-biphenyl]-4-yl)-, 1,1-dimethylethyl ester

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N-(3-Nitro[1,1'-biphenyl]-4-yl)carbaMicAcidtert-ButylEster Basic Attributes

Molecular Weight：

314.34

Exact Mass：

314.12665706

Characteristics

PSA：

84.15000

XLogP3：

5.20500

Density：

1.229±0.06 g/cm3

Boiling Point：

410.7±45.0 °C(Predicted)

PKA：

12.35±0.70

N-(3-Nitro[1,1'-biphenyl]-4-yl)carbaMicAcidtert-ButylEster Use and Manufacturing

N-(3-Nitro[1,1'-biphenyl]-4-yl)carbamic Acid tert-Butyl Ester is a reactant used in the optimization of selective HDAC1/HDAC2 inhibitor and preparation of selective HDAC inhibitors.

Computed Properties

Molecular Weight:314.34
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:314.12665706
Monoisotopic Mass:314.12665706
Topological Polar Surface Area:84.2
Heavy Atom Count:23
Complexity:421
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(3-Nitro[1,1'-biphenyl]-4-yl)carbaMicAcidtert-ButylEster

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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