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2-[(4-BROMOPHENYL)THIO]NICOTINICACID

2-[(4-BROMOPHENYL)THIO]NICOTINICACID structure

CAS No:
955-52-2
Formula:
C12H8BrNO2S
Chemical Name:
2-[(4-BROMOPHENYL)THIO]NICOTINICACID

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2-[(4-BROMOPHENYL)THIO]NICOTINICACID Basic Attributes

Molecular Weight：

310.16600

Exact Mass：

308.94600

DSSTox ID：

DTXSID90366647

HScode：

2933399090

Characteristics

PSA：

75.49000

XLogP3：

3.69350

Boiling Point：

462.5ºC at 760mmHg

Flash Point：

233.5ºC

Water Solubility：

>46.5 [ug/mL]

Computed Properties

Molecular Weight:310.17
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:308.94591
Monoisotopic Mass:308.94591
Topological Polar Surface Area:75.5
Heavy Atom Count:17
Complexity:269
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(4-BROMOPHENYL)THIO]NICOTINICACID

Basic Attributes
Characteristics
Computed Properties

2-[(4-BROMOPHENYL)THIO]NICOTINICACID

SDS

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