CAS
948014-28-6 Purity
96%
948014-28-6 Purity
96%
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4-Chloro-3,5-bis(trifluoromethyl)aniline
CAS
948014-37-7
Catalog Number
ACM948014377
Category
Other Products
Molecular Weight
263.57
Molecular Formula
C8H4ClF6N
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Specification
Synonyms
4-Chloro-3,5-bis(trifluoromethyl)aniline;3,5-bis-(Trifluoromethyl)-4-chloroaniline
IUPAC Name
4-chloro-3,5-bis(trifluoromethyl)aniline
Canonical SMILES
C1=C(C=C(C(=C1C(F)(F)F)Cl)C(F)(F)F)N
InChI Key
PIKVAJGVDRGPMX-UHFFFAOYSA-N
Exact Mass
262.99400
H-Bond Acceptor
7
H-Bond Donor
1
What is the molecular formula of 4-Chloro-3,5-bis(trifluoromethyl)aniline?
The molecular formula is C8H4ClF6N.
What is the molecular weight of 4-Chloro-3,5-bis(trifluoromethyl)aniline?
The molecular weight is 263.57 g/mol.
What is the IUPAC name of 4-Chloro-3,5-bis(trifluoromethyl)aniline?
The IUPAC name is 4-chloro-3,5-bis(trifluoromethyl)aniline.
What is the InChI of 4-Chloro-3,5-bis(trifluoromethyl)aniline?
The InChI is InChI=1S/C8H4ClF6N/c9-6-4(7(10,11)12)1-3(16)2-5(6)8(13,14)15/h1-2H,16H2.
What is the InChIKey of 4-Chloro-3,5-bis(trifluoromethyl)aniline?
The InChIKey is PIKVAJGVDRGPMX-UHFFFAOYSA-N.
What is the canonical SMILES representation of 4-Chloro-3,5-bis(trifluoromethyl)aniline?
The canonical SMILES is C1=C(C=C(C(=C1C(F)(F)F)Cl)C(F)(F)F)N.
What is the CAS number of 4-Chloro-3,5-bis(trifluoromethyl)aniline?
The CAS number is 948014-37-7.
What is the XLogP3-AA value of 4-Chloro-3,5-bis(trifluoromethyl)aniline?
The XLogP3-AA value is 3.6.
How many hydrogen bond donor counts does 4-Chloro-3,5-bis(trifluoromethyl)aniline have?
It has 1 hydrogen bond donor count.
Is 4-Chloro-3,5-bis(trifluoromethyl)aniline a canonicalized compound according to PubChem?
Yes, it is a canonicalized compound.
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