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3-Bromo-4,5-dichlorobenzotrifluoride
CAS:
401-91-2
MW:
293.892
MF:
C7H2BrCl2F3
 
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Names and ldentifier
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
3-Bromo-4,5-dichlorobenzotrifluoride
1.2 Synonyms
1-bromo-2,3-dichloro-5-trifluoromethyl-benzene; 3-Bromo-4,5-dichlorobenzotrifluoride; Benzene, 1-bromo-2,3-dichloro-5-(trifluoromethyl)-;
1.3 CAS No.
401-91-2
1.4 CID
44891177
1.5 Molecular Formula
C7H2BrCl2F3
1.6 Inchi
InChI=1S/C7H2BrCl2F3/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
1.7 InChkey
IDNWCAFYCYUXAR-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=C(C=C(C(=C1Cl)Cl)Br)C(F)(F)F
1.9 Isomers Smiles
C1=C(C=C(C(=C1Cl)Cl)Br)C(F)(F)F
2. Computed Properties
Molecular Weight:
293.892g/mol
Molecular Formula:
C
7
H
2
BrCl
2
F
3
Compound Is Canonicalized:
True
Exact Mass:
4.8
XLogP3-AA:
291.86690
Monoisotopic Mass:
291.86690
Complexity:
185
Rotatable Bond Count:
0
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Topological Polar Surface Area:
0
Heavy Atom Count::
13
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADcQBgAYAGEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGQJAAAABrAKAGDAwAIAAAACAAiBCAAACAAAgBQQAikAAAqgIICKBExCAIAAggAAIihcAgAAOBAAAMABAAAYIAABgAIAADAAAAAAAAA==
3. Toltal 1 Suppliers
View more
Shanghai Sinch Parmaceuticals Tech. Co. Ltd.
Tel:
Update Time:
2019/11/25
inquire
4. Realated Product Infomation
4-BROMO-3,5-DICHLOROBENZOTRIFLUORIDE
cas:118754-53-3
4-Bromo-2,6-dichlorobenzotrifluoride
cas:2169186-20-1
3,4-Dichlorobenzotrifluoride
cas:328-84-7
2,4-Dichlorobenzotrifluoride
cas:320-60-5
2,3-Dichlorobenzotrifluoride
cas:54773-19-2
2,5-Dichlorobenzotrifluoride
cas:320-50-3
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Computational chemical data
3.
Toltal 1 Suppliers
4.
Realated Product Infomation
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