CAS
1309981-35-8 Purity
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1309981-35-8 Purity
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3-Acetamidophenylboronic acid
CAS
78887-39-5
Catalog Number
ACM78887395
Category
Boro-Amino Acids
Molecular Weight
178.98g/mol
Molecular Formula
C8H10BNO3
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Specification
Synonyms
RARECHEM AH PB 0113;TIMTEC-BB SBB000203;3-ACETAMIDOPHENYLBORONIC ACID;3-ACETAMIDOBENZENEBORONIC ACID;3-ACETYLAMINOPHENYLBORONIC ACID;M-ACETAMIDOPHENYLBORONIC ACID;3-Acetaminophenylbornic acid
;3-(Acetylamino)benzeneboronic acid
;3-(Acetylamino)benzeneboronic acid
IUPAC Name
(3-acetamidophenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)NC(=O)C)(O)O
InChI
InChI=1S/C8H10BNO3/c1-6(11)10-8-4-2-3-7(5-8)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChI Key
IBTSWKLSEOGJGJ-UHFFFAOYSA-N
Complexity
186
Covalently-Bonded Unit Count
1
Exact Mass
179.075373g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
3
Heavy Atom Count
13
Monoisotopic Mass
179.075373g/mol
Rotatable Bond Count
2
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