CAS
1309981-35-8 Purity
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1309981-35-8 Purity
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3-Nitrophenylboronic acid
CAS
13331-27-6
Catalog Number
ACM13331276
Category
Boro-Amino Acids
Molecular Weight
166.93g/mol
Molecular Formula
C6H6BNO4
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Specification
Synonyms
(3-nitrophenyl)-boronicaci;m-nitro-benzeneboronicaci;m-nitrobenzeneboronicacid;3-NITROPHENYLBORIC ACID;3-NITROPHENYLBORONIC ACID;3-NITROBENZENEBORONIC ACID;AKOS BRN-0128;M-NITROPHENYLBORONIC ACID
IUPAC Name
(3-nitrophenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)[N+](=O)[O-])(O)O
InChI
InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
InChI Key
ZNRGSYUVFVNSAW-UHFFFAOYSA-N
Complexity
169
Covalently-Bonded Unit Count
1
Exact Mass
167.038988g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
12
Monoisotopic Mass
167.038988g/mol
NSC Number
401539;59739
Rotatable Bond Count
1
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