Cas no 21295-91-0 (1H-Benzimidazole,4,7-dichloro-)
21295-91-0 structure
Product Name:1H-Benzimidazole,4,7-dichloro-
CAS No:21295-91-0
MF:C7H4Cl2N2
MW:187.026059150696
CID:242187
PubChem ID:45078546
Update Time:2025-04-19
1H-Benzimidazole,4,7-dichloro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole,4,7-dichloro-
- 4,7-Dichlorobenzimidazole
- Benzimidazole,4,7-dichloro- (8CI)
- SCHEMBL197041
- 4,7-Dichloro-1H-benzo[d]imidazole
- 21295-91-0
- AKOS027402569
- 4,7-dichloro-1H-benzimidazole
- 1H-Benzimidazole,4,7-dichloro-(9CI)
-
- Inchi： 1S/C7H4Cl2N2/c8-4-1-2-5(9)7-6(4)10-3-11-7/h1-3H,(H,10,11)
- InChI Key： BYZKIRGRWFJGIY-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C2=C1NC=N2)Cl
Computed Properties
- Exact Mass: 185.97532
- Monoisotopic Mass: 185.975
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 153
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 28.7A^2
- XLogP3: 2.7
Experimental Properties
- PSA: 28.68
1H-Benzimidazole,4,7-dichloro- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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