CAS
900503-08-4 Purity
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900503-08-4 Purity
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4-Benzyloxyindazole-3-carboxaldehyde
CAS
900506-25-4
Catalog Number
ACM900506254
Category
Other Products
Molecular Weight
252.267980 [g/mol]
Molecular Formula
C15H12N2O2
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Specification
Synonyms
4-Benzyloxyindazole-3-carboxaldehyde, 900506-25-4, DB-078586, KB-262832, 1h-indazole-3-carbaldehyde,4-(phenylmethoxy)-, W-3488
IUPAC Name
4-phenylmethoxy-2H-indazole-3-carbaldehyde
Canonical SMILES
C1=CC=C(C=C1)COC2=CC=CC3=NNC(=C32)C=O
InChI Key
CQZAYBCPLBJJRC-UHFFFAOYSA-N
Exact Mass
252.09000
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 4-Benzyloxyindazole-3-carboxaldehyde?
The molecular formula of 4-Benzyloxyindazole-3-carboxaldehyde is C15H12N2O2.
What is the molecular weight of 4-Benzyloxyindazole-3-carboxaldehyde?
The molecular weight of 4-Benzyloxyindazole-3-carboxaldehyde is 252.27 g/mol.
When was 4-Benzyloxyindazole-3-carboxaldehyde first created in PubChem?
4-Benzyloxyindazole-3-carboxaldehyde was first created in PubChem on July 1, 2014.
What is the IUPAC name of 4-Benzyloxyindazole-3-carboxaldehyde?
The IUPAC name of 4-Benzyloxyindazole-3-carboxaldehyde is 4-phenylmethoxy-2H-indazole-3-carbaldehyde.
What is the InChI of 4-Benzyloxyindazole-3-carboxaldehyde?
The InChI of 4-Benzyloxyindazole-3-carboxaldehyde is InChI=1S/C15H12N2O2/c18-9-13-15-12(16-17-13)7-4-8-14(15)19-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17).
How many hydrogen bond donor counts does 4-Benzyloxyindazole-3-carboxaldehyde have?
4-Benzyloxyindazole-3-carboxaldehyde has 1 hydrogen bond donor count.
What is the XLogP3-AA value of 4-Benzyloxyindazole-3-carboxaldehyde?
The XLogP3-AA value of 4-Benzyloxyindazole-3-carboxaldehyde is 2.8.
How many rotatable bond counts does 4-Benzyloxyindazole-3-carboxaldehyde have?
4-Benzyloxyindazole-3-carboxaldehyde has 4 rotatable bond counts.
What is the topological polar surface area of 4-Benzyloxyindazole-3-carboxaldehyde?
The topological polar surface area of 4-Benzyloxyindazole-3-carboxaldehyde is 55 Ų.
Is the compound Canonicalized according to PubChem?
Yes, the compound 4-Benzyloxyindazole-3-carboxaldehyde is Canonicalized according to PubChem.
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