CAS
932710-51-5 Purity
96%
932710-51-5 Purity
96%
Inquiry Basket
4-Chloro-2-phenylbutyronitrile
CAS
93273-13-3
Catalog Number
ACM93273133
Category
Other Products
Molecular Weight
179.646100 [g/mol]
Molecular Formula
C10H10ClN
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
4-CHLORO-2-PHENYLBUTANENITRILE, 93273-13-3, AGN-PC-00LXMG, 4-chloro-2-phenylbutyronitrile, CTK5H2251, MolPort-022-373-917, ANW-54421, AKOS006343912, AG-H-81249, AK-87245, KB-190552
IUPAC Name
4-chloro-2-phenylbutanenitrile
Canonical SMILES
C1=CC=C(C=C1)C(CCCl)C#N
InChI Key
QATMNEWCJVVAJK-UHFFFAOYSA-N
Exact Mass
179.05000
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 4-Chloro-2-phenylbutyronitrile?
The molecular formula of 4-Chloro-2-phenylbutyronitrile is C10H10ClN.
What is the molecular weight of 4-Chloro-2-phenylbutyronitrile?
The molecular weight of 4-Chloro-2-phenylbutyronitrile is 179.64 g/mol.
When was 4-Chloro-2-phenylbutyronitrile created?
4-Chloro-2-phenylbutyronitrile was created on February 8, 2007.
What is the IUPAC name of 4-Chloro-2-phenylbutyronitrile?
The IUPAC name of 4-Chloro-2-phenylbutyronitrile is 4-chloro-2-phenylbutanenitrile.
What is the InChI of 4-Chloro-2-phenylbutyronitrile?
The InChI of 4-Chloro-2-phenylbutyronitrile is InChI=1S/C10H10ClN/c11-7-6-10(8-12)9-4-2-1-3-5-9/h1-5,10H,6-7H2.
How many hydrogen bond donor counts does 4-Chloro-2-phenylbutyronitrile have?
4-Chloro-2-phenylbutyronitrile has 0 hydrogen bond donor count.
What is the topological polar surface area of 4-Chloro-2-phenylbutyronitrile?
The topological polar surface area of 4-Chloro-2-phenylbutyronitrile is 23.8?2.
Is 4-Chloro-2-phenylbutyronitrile a canonicalized compound?
Yes, 4-Chloro-2-phenylbutyronitrile is a canonicalized compound.
How many rotatable bond counts does 4-Chloro-2-phenylbutyronitrile have?
4-Chloro-2-phenylbutyronitrile has 3 rotatable bond counts.
What is the XLogP3-AA value of 4-Chloro-2-phenylbutyronitrile?
The XLogP3-AA value of 4-Chloro-2-phenylbutyronitrile is 2.6.
Recommended Products
CAS
932740-09-5 Purity
96%
932740-09-5 Purity
96%
