CAS
94232-01-6 Purity
96%
94232-01-6 Purity
96%
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p-Nitrophenyl 3-amino-4-methoxybenzenesulfonate
CAS
94232-04-9
Catalog Number
ACM94232049
Category
Other Products
Molecular Weight
324.309180 [g/mol]
Molecular Formula
C13H12N2O6S
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Specification
Synonyms
EINECS 303-928-7, CID6366507, p-Nitrophenyl 3-amino-4-methoxybenzenesulphonate, 94232-04-9
IUPAC Name
(4-nitrophenyl) 3-amino-4-methoxybenzenesulfonate
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N
InChI Key
MKBHZWMFTFVMOV-UHFFFAOYSA-N
Boiling Point
553.7ºC at 760mmHg
Flash Point
288.6ºC
Density
1.465g/cm³
EC Number
303-928-7
Exact Mass
324.04200
H-Bond Acceptor
7
H-Bond Donor
1
What is the molecular formula of p-Nitrophenyl 3-amino-4-methoxybenzenesulfonate?
The molecular formula is C13H12N2O6S.
What is the molecular weight of p-Nitrophenyl 3-amino-4-methoxybenzenesulfonate?
The molecular weight is 324.31 g/mol.
What is the IUPAC name of p-Nitrophenyl 3-amino-4-methoxybenzenesulfonate?
The IUPAC name is (4-nitrophenyl) 3-amino-4-methoxybenzenesulfonate.
What is the InChI of p-Nitrophenyl 3-amino-4-methoxybenzenesulfonate?
The InChI is InChI=1S/C13H12N2O6S/c1-20-13-7-6-11(8-12(13)14)22(18,19)21-10-4-2-9(3-5-10)15(16)17/h2-8H,14H2,1H3.
What is the InChIKey of p-Nitrophenyl 3-amino-4-methoxybenzenesulfonate?
The InChIKey is MKBHZWMFTFVMOV-UHFFFAOYSA-N.
What is the canonical SMILES of p-Nitrophenyl 3-amino-4-methoxybenzenesulfonate?
The canonical SMILES is COC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N.
What is the CAS number of p-Nitrophenyl 3-amino-4-methoxybenzenesulfonate?
The CAS number is 94232-04-9.
How many hydrogen bond donor counts does p-Nitrophenyl 3-amino-4-methoxybenzenesulfonate have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does p-Nitrophenyl 3-amino-4-methoxybenzenesulfonate have?
It has 7 hydrogen bond acceptor counts.
What is the topological polar surface area of p-Nitrophenyl 3-amino-4-methoxybenzenesulfonate?
The topological polar surface area is 133.2.
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