CAS
913835-70-8 Purity
98%
913835-70-8 Purity
98%
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Boronicacid,b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-,hydrochloride(1:1)
CAS
913835-78-6
Catalog Number
ACM913835786
Category
Other Products
Molecular Weight
308.52526
Molecular Formula
C13H14BClN2O4
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Specification
Synonyms
[3-(benzylamino)-5-nitrophenyl]boronic acid,hydrochloride;
IUPAC Name
[3-(benzylamino)-5-nitrophenyl]boronic acid;hydrochloride
Canonical SMILES
B(C1=CC(=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2)(O)O.Cl
InChI Key
YSXGPPOSKCOXDK-UHFFFAOYSA-N
Boiling Point
526.2ºC at 760 mmHg
Melting Point
210-212ºC
Flash Point
272ºC
Exact Mass
308.07400
Hazard Statements
Xi
H-Bond Acceptor
5
H-Bond Donor
4
What is the molecular formula of Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1)?
The molecular formula is C13H14BClN2O4.
What is the molecular weight of Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1)?
The molecular weight is 308.53 g/mol.
What are some synonyms for Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1)?
Some synonyms include 3-(Benzylamino)-5-nitrophenylboronic acid hydrochloride and [3-(benzylamino)-5-nitrophenyl]boronic acid; hydrochloride.
When was Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1) created and modified?
It was created on 2009-07-21 and modified on 2023-12-30.
What is the InChI key for Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1)?
The InChI key is YSXGPPOSKCOXDK-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1) have?
It has 4 hydrogen bond donor counts.
What is the exact mass of Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1)?
The exact mass is 308.0735148 g/mol.
How many rotatable bond counts does Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1) have?
It has 4 rotatable bond counts.
What is the topological polar surface area of Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1)?
The topological polar surface area is 98.3 Å2.
Is Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1) canonicalized?
Yes, the compound is canonicalized.
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