CAS
939756-02-2 Purity
96%
939756-02-2 Purity
96%
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1-[(4-Bromophenyl)methyl]-1H-indazol-5-amine
CAS
939756-06-6
Catalog Number
ACM939756066
Category
Other Products
Molecular Weight
302.169180 [g/mol]
Molecular Formula
C14H12BrN3
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Specification
Synonyms
1H-Indazol-5-amine, 1-[(4-bromophenyl)methyl]-
IUPAC Name
1-[(4-bromophenyl)methyl]indazol-5-amine
Canonical SMILES
C1=CC(=CC=C1CN2C3=C(C=C(C=C3)N)C=N2)Br
InChI Key
WRTGKYPGAPKELP-UHFFFAOYSA-N
Exact Mass
301.02100
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C14H12BrN3.
What is the molecular weight of the compound?
The molecular weight of the compound is 302.17 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-[(4-bromophenyl)methyl]indazol-5-amine.
What is the InChIKey of the compound?
The InChIKey of the compound is WRTGKYPGAPKELP-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 43.8 Ų.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
When was the compound created and last modified in PubChem?
The compound was created on 2007-07-30 and last modified on 2023-12-30.
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