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4-chloroisophthalicacid

4-chloroisophthalicacid structure

CAS No:
2845-85-4
Formula:
C8H5ClO4
Chemical Name:
4-chloroisophthalicacid
Synonyms:
4-chloroisophthalicacid;Isophthalicacid,4-chloro-;4-Chlorobenzene-1,3-dicarboxylicacid;4-Chloro-1,3-benzenedicarboxylicacid;1,3-Benzenedicarboxylicacid,4-chloro-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-chloroisophthalicacid Basic Attributes

Molecular Weight：

200.58

Exact Mass：

199.98800

NSC Number：

409493

DSSTox ID：

DTXSID00325260

HScode：

2917399090

Characteristics

PSA：

74.6

XLogP3：

1.7

Density：

1.586g/cm3

Melting Point：

>290 °C

Boiling Point：

424.9°C at 760 mmHg

Flash Point：

210.8ºC

Refractive Index：

1.63

Vapor Pressure：

5.59E-08mmHg at 25°C

Computed Properties

Molecular Weight:200.57
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:199.9876363
Monoisotopic Mass:199.9876363
Topological Polar Surface Area:74.6
Heavy Atom Count:13
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 2845-85-4

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