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3-(Bis(2-chloroethyl)amino)benzoicacid

3-(Bis(2-chloroethyl)amino)benzoicacid structure

CAS No:
3085-98-1
Formula:
C11H13Cl2NO2
Chemical Name:
3-(Bis(2-chloroethyl)amino)benzoicacid
Synonyms:
NSC 240365;BENZOIC ACID, m-(BIS(2-CHLOROETHYL)AMINO)-;BRN 2810541;m-(Bis(2-chloroethyl)amino)benzoic acid;3-(Bis(2-chloroethyl)amino)benzoic acid;Benzoic acid, 3-(bis(2-chloroethyl)amino)-;Benzoic acid, 3-[bis(2-chloroethyl)amino]-;3-[bis(2-chloroethyl)amino]benzoic acid;m-[Bis(2-chloroethyl)amino]benzoic acid;NSC240365

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3-(Bis(2-chloroethyl)amino)benzoicacid Basic Attributes

Molecular Weight：

262.13

Exact Mass：

261.032

NSC Number：

240365

DSSTox ID：

DTXSID90184868

Characteristics

PSA：

40.5

XLogP3：

2.8

Density：

1.339±0.06 g/cm3(Predicted)

Melting Point：

177-178 °C(Solv: benzene (71-43-2))

Computed Properties

Molecular Weight:262.13
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:261.0323340
Monoisotopic Mass:261.0323340
Topological Polar Surface Area:40.5
Heavy Atom Count:16
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Bis(2-chloroethyl)amino)benzoicacid

Basic Attributes
Characteristics
Computed Properties

3-(Bis(2-chloroethyl)amino)benzoicacid

SDS

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