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Home > Encyclopedia > 3-[Bis(2-chloroethyl)amino]-4-methylbenzoic acid

3-[Bis(2-chloroethyl)amino]-4-methylbenzoic acid

3-[Bis(2-chloroethyl)amino]-4-methylbenzoic acid structure

3-[Bis(2-chloroethyl)amino]-4-methylbenzoic acid 

structure
  • CAS No:

    5977-35-5

  • Formula:

    C12H15Cl2NO2

  • Chemical Name:

    3-[Bis(2-chloroethyl)amino]-4-methylbenzoic acid

  • Synonyms:

    Benzoic acid,3-[bis(2-chloroethyl)amino]-4-methyl-;p-Toluic acid,3-[bis(2-chloroethyl)amino]-;3-[Bis(2-chloroethyl)amino]-4-methylbenzoic acid;3-[N,N-Bis(2-chloroethyl)amino]-p-toluic acid;3-[N,N-Bis(2-chloroethyl)amino]-4-methylbenzoic acid;3-[N,N′-Bis(2-chloroethyl)amino]-4-methylbenzoic acid;IOB 82;Alkyrom;NSC 146171

3-[Bis(2-chloroethyl)amino]-4-methylbenzoic acid Basic Attributes

276.16 g/mol

276.16

77139CHG44

146171

DTXSID20208501

Characteristics

40.5 Ų

Drug Information

IOB 82

Computed Properties

Molecular Weight:276.16
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:275.0479841
Monoisotopic Mass:275.0479841
Topological Polar Surface Area:40.5
Heavy Atom Count:17
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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