CAS
959155-80-7 Purity
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959155-80-7 Purity
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Benzoic acid,4-nitrophenyl ester
CAS
959-22-8
Catalog Number
ACM959228
Category
Other Products
Molecular Weight
243.21
Molecular Formula
C13H9NO4
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Specification
Synonyms
p-Nitrophenyl benzoate, 4-Nitrophenyl benzoate, Benzoic acid, p-nitrophenyl ester, Benzoic acid, 4-nitrophenyl ester, Phenol, p-nitro-, benzoate, AIDS167114, AIDS-167114, CID70396, NSC408882, ZINC00134764, NSC 408882, AI3-19603, PB-02759672, 959-22-8
IUPAC Name
(4-nitrophenyl) benzoate
Canonical SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI Key
GMKZBFFLCONHDE-UHFFFAOYSA-N
Boiling Point
399.5ºC at 760mmHg
Melting Point
142-144ºC
Flash Point
183.5ºC
Density
1.316g/cm³
EC Number
917-588-8
Exact Mass
243.05300
H-Bond Acceptor
4
H-Bond Donor
0
Safety Description
S22-S24/25
What is the molecular formula of Benzoic acid, 4-nitrophenyl ester?
The molecular formula of Benzoic acid, 4-nitrophenyl ester is C13H9NO4.
What is the PubChem CID of Benzoic acid, 4-nitrophenyl ester?
The PubChem CID of Benzoic acid, 4-nitrophenyl ester is 70396.
What is the IUPAC name of Benzoic acid, 4-nitrophenyl ester?
The IUPAC name of Benzoic acid, 4-nitrophenyl ester is (4-nitrophenyl) benzoate.
What is the CAS number of Benzoic acid, 4-nitrophenyl ester?
The CAS number of Benzoic acid, 4-nitrophenyl ester is 959-22-8.
What is the molecular weight of Benzoic acid, 4-nitrophenyl ester?
The molecular weight of Benzoic acid, 4-nitrophenyl ester is 243.21 g/mol.
What is the InChIKey of Benzoic acid, 4-nitrophenyl ester?
The InChIKey of Benzoic acid, 4-nitrophenyl ester is GMKZBFFLCONHDE-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Benzoic acid, 4-nitrophenyl ester have?
Benzoic acid, 4-nitrophenyl ester has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does Benzoic acid, 4-nitrophenyl ester have?
Benzoic acid, 4-nitrophenyl ester has 4 hydrogen bond acceptor counts.
What is the XLogP3 value of Benzoic acid, 4-nitrophenyl ester?
The XLogP3 value of Benzoic acid, 4-nitrophenyl ester is 3.4.
Is Benzoic acid, 4-nitrophenyl ester a canonicalized compound?
Yes, Benzoic acid, 4-nitrophenyl ester is a canonicalized compound.
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