Basic information
- CAS
1135192-33-4- Standard SMILES
O=C(O)c1ccccc1N=Nc1ccc(N(CCCl)CCCl)cc1- InChIKey
UZVFCQFALGLBHY-UHFFFAOYSA-N- Molecular formula
- C17H17Cl2N3O2
- Average molar mass
- 366.2 g/mol
- Monoisotopic mass
- 365.0697822
Names & identifiers
- Preferred name
- Benzoic acid, 2-((4-(bis(2-chloroethyl)amino)phenyl)azo)-
- IUPAC
- 2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]benzoic acid
Names & synonyms
40136-87-6NSC 240373BRN 34154612-(4-Bis(2-chloroethyl)aminophenyl)azobenzoic acidBENZOIC ACID, 2-((4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)AZO)-4-16-00-00505 (Beilstein Handbook Reference)NSC-240373Benzoic acid, O-(p-(bis(2-chloroethyl)amino)phenylazo)-Benzoic acid, 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-NSC-260477Benzoic acid, o-[p-[bis(2-chloroethyl)amino]phenylazo]-Benzoic acid, 2-[[4-[bis(2-chloroethyl)amino]phenyl]azo]-
Show more names
NSC2403732-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]benzoic acid947SUA2PFMDTXSID4010406392-[2-[4-[Bis(2-chloroethyl)amino]phenyl]diazenyl]benzoic acidBIS(2-CHLOROETHYL)AMINOPHENYL)AZOBENZOIC ACID, 2-(4-2-[(1E)-2-[4-[Bis(2-chloroethyl)amino]phenyl]diazenyl]benzoic acidBenzoic acid, 2-[(1E)-2-[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-
Database identifiers
- CAS
1135192-33-4、40136-87-6- PubChem CID
- 38397
- DTXSID
DTXSID401040639- UNII
- 947SUA2PFM
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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