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CHEMBRDG-BB4012562

CHEMBRDG-BB4012562 structure

CAS No:
30446-99-2
Formula:
C10H8OS
Chemical Name:
CHEMBRDG-BB4012562
Synonyms:
2-methyl-1-benzothiophene-3-carbaldehyde;2-methylbenzo[b]thiophene-3-carbaldehyde;Benzo[b]thiophene-3-carboxaldehyde, 2-methyl-;2-Methylbenzo[b]thiophene-3-carboxaldehyde;SCHEMBL1093585;CTK1B3319;DTXSID10396264;CHEMBRDG-BB 4012562;ZINC5724454;5083AH
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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CHEMBRDG-BB4012562 Basic Attributes

Molecular Weight：

176.23500

Exact Mass：

176.03000

DSSTox ID：

DTXSID10396264

HScode：

2934999090

Characteristics

PSA：

45.31000

XLogP3：

3.02220

Density：

1.25g/cm3

Melting Point：

97-98 °C(Solv: ethanol (64-17-5))

Boiling Point：

318.9ºC at 760 mmHg

Flash Point：

146.7ºC

Refractive Index：

1.692

Computed Properties

Molecular Weight:176.24
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:176.02958605
Monoisotopic Mass:176.02958605
Topological Polar Surface Area:45.3
Heavy Atom Count:12
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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