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3-Carboxy-4-chlorophenylisothiocyanate

3-Carboxy-4-chlorophenylisothiocyanate structure

CAS No:
1027512-49-7
Formula:
C8H4ClNO2S
Chemical Name:
3-Carboxy-4-chlorophenylisothiocyanate
Synonyms:
3-Carboxy-4-chlorophenylisothiocyanate;2-chloro-5-isothiocyanatobenzoic acid;DTXSID20653431;ZINC31829452;FS-6120

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3-Carboxy-4-chlorophenylisothiocyanate Basic Attributes

Molecular Weight：

213.64086

Exact Mass：

212.965

DSSTox ID：

DTXSID20653431

HScode：

2930909090

Characteristics

PSA：

81.8

XLogP3：

3.6

Computed Properties

Molecular Weight:213.64
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:212.9651272
Monoisotopic Mass:212.9651272
Topological Polar Surface Area:81.8
Heavy Atom Count:13
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Carboxy-4-chlorophenylisothiocyanate

Basic Attributes
Characteristics
Computed Properties

3-Carboxy-4-chlorophenylisothiocyanate

SDS

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