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1H-Pyrazole-4-carbonylchloride,1,3,5-trimethyl-(9CI)

1H-Pyrazole-4-carbonylchloride,1,3,5-trimethyl-(9CI) structure

CAS No:
98298-63-6
Formula:
C7H9ClN2O
Chemical Name:
1H-Pyrazole-4-carbonylchloride,1,3,5-trimethyl-(9CI)
Synonyms:
1H-Pyrazole-4-carbonyl chloride, 1,3,5-trimethyl- (9CI);1,3,5-trimethylpyrazole-4-carboxylic acid chloride

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1H-Pyrazole-4-carbonylchloride,1,3,5-trimethyl-(9CI) Basic Attributes

Molecular Weight：

172.61

Exact Mass：

172.0403406

DSSTox ID：

DTXSID50545618

HScode：

2933199090

Characteristics

PSA：

34.89000

XLogP3：

1.41590

Density：

1.26±0.1 g/cm3

Melting Point：

67-68 °C

Boiling Point：

140-150 °C(Press: 12 Torr)

PKA：

0.37±0.10

Computed Properties

Molecular Weight:172.61
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:172.0403406
Monoisotopic Mass:172.0403406
Topological Polar Surface Area:34.9
Heavy Atom Count:11
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1,3,5-Trimethyl-1H-pyrazole-4-carbonyl chloride

CAS No.: 98298-63-6

Content: 99.00%

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Guide of 1H-Pyrazole-4-carbonylchloride,1,3,5-trimethyl-(9CI)

Basic Attributes
Characteristics
Computed Properties
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