CAS
945655-38-9 Purity
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945655-38-9 Purity
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3-Amino-5-(furan-2-yl)-2-nitrobiphenyl-4-carbonitrile
CAS
945677-65-6
Catalog Number
ACM945677656
Category
Other Products
Molecular Weight
305.287540 [g/mol]
Molecular Formula
C17H11N3O3
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Specification
Synonyms
ZINC71260925, 3-amino-5-(furan-2-yl)-2-nitrobiphenyl-4-carbonitrile, 945677-65-6
IUPAC Name
2-amino-6-(furan-2-yl)-3-nitro-4-phenylbenzonitrile
InChI Key
ZONJNYCBDPLGDV-UHFFFAOYSA-N
Exact Mass
305.08000
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C17H11N3O3.
What are the synonyms of the compound?
The synonyms of the compound are:
945677-65-6
3-amino-5-(furan-2-yl)-2-nitrobiphenyl-4-carbonitrile
DTXSID80704978
3-Amino-5-(furan-2-yl)-2-nitro[1,1'-biphenyl]-4-carbonitrile
What is the molecular weight of the compound?
The molecular weight of the compound is 305.29 g/mol.
What is the computed IUPAC name of the compound?
The computed IUPAC name of the compound is 2-amino-6-(furan-2-yl)-3-nitro-4-phenylbenzonitrile.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C17H11N3O3/c18-10-14-13(15-7-4-8-23-15)9-12(11-5-2-1-3-6-11)17(16(14)19)20(21)22/h1-9H,19H2.
What is the InChIKey of the compound?
The InChIKey of the compound is ZONJNYCBDPLGDV-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC=C(C=C1)C2=CC(=C(C(=C2[N+](=O)[O-])N)C#N)C3=CC=CO3.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.7.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
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