CAS
920275-05-4 Purity
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920275-05-4 Purity
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4-(Pyrimidin-2-ylamino)benzoic acid
CAS
920287-46-3
Catalog Number
ACM920287463
Category
Other Products
Molecular Weight
215.208060 [g/mol]
Molecular Formula
C11H9N3O2
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Specification
Synonyms
4-(pyrimidin-2-ylamino)benzoic acid, 4-(Pyrimidin-2-ylamino)-benzoic acid, 920287-46-3, SureCN2248377, MolPort-005-306-869, BB_NC-2121, BBL011829, SBB019180, STK727319, AKOS000111567, MCULE-5074049984, AK-24325, KB-88141, ST4147424, BB 0238464
IUPAC Name
4-(pyrimidin-2-ylamino)benzoic acid
Canonical SMILES
C1=CN=C(N=C1)NC2=CC=C(C=C2)C(=O)O
InChI Key
ZBDXNIXEOKDJKQ-UHFFFAOYSA-N
Boiling Point
453.1ºC at 760 mmHg
Flash Point
227.8ºC
Density
1.393g/cm³
Exact Mass
215.06900
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 26343175?
The molecular formula is C11H9N3O2.
What are the synonyms for the compound with PubChem CID 26343175?
The synonyms include 4-(pyrimidin-2-ylamino)benzoic acid, 920287-46-3, 4-[(pyrimidin-2-yl)amino]benzoic acid, and more.
What is the molecular weight of the compound with PubChem CID 26343175?
The molecular weight is 215.21 g/mol.
What is the InChIKey of the compound with PubChem CID 26343175?
The InChIKey is ZBDXNIXEOKDJKQ-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound with PubChem CID 26343175?
There are 2 hydrogen bond donor counts in the compound.
What is the topological polar surface area of the compound with PubChem CID 26343175?
The topological polar surface area is 75.1 Ų.
Is the compound with PubChem CID 26343175 canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of the compound with PubChem CID 26343175?
The XLogP3-AA value is 1.6.
How many rotatable bond counts are there in the compound with PubChem CID 26343175?
There are 3 rotatable bond counts in the compound.
What is the exact mass of the compound with PubChem CID 26343175?
The exact mass is 215.069476538 g/mol.
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