AG00053U

1016644-38-4 | 2-Oxo-2,3-dihydrobenzo[d]oxazol-6-yl-boronic acid

AG00053U

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CAS Number	1016644-38-4
Catalog Number	AG00053U(AGN-PC-0CV4WV)
Chemical Name	2-Oxo-2,3-dihydrobenzo[d]oxazol-6-yl-boronic acid
IUPAC Name	(2-oxo-3H-1,3-benzoxazol-6-yl)boronic acid
InChI	InChI=1S/C7H6BNO4/c10-7-9-5-2-1-4(8(11)12)3-6(5)13-7/h1-3,11-12H,(H,9,10)
InChI Key	PHZVOCDSNUZULP-UHFFFAOYSA-N
MDL Number	MFCD18072745
Molecular Formula	C7H6BNO4
Molecular Weight	178.9378
SMILES	O=C1OC2=CC(B(O)O)=CC=C2N1
Synonyms	2-oxo-2,3-dihydrobenzo(d)oxazol-6-ylboronic acid, 1016644-38-4, (2-Oxo-2,3-dihydrobenzo[d]oxazol-6-yl)boronic acid, 2-Oxo-2,3-dihydrobenzo[D]oxazol-6-yl-boronic acid, AK-40731, SCHEMBL3329297, DTXSID80731603, PHZVOCDSNUZULP-UHFFFAOYSA-N, KS-00000I5Q, 0433AA, MFCD18072745, AKOS016011966, ZINC169991393, FCH1145914, 2-Hydroxybenzo[d]oxazole-6-boronic acid, DS-13684, SC-52993, AX8164465, (2-oxo-3H-1,3-benzoxazol-6-yl)boronic acid, (2-Oxo-2,3-dihydrobenzoxazol-6-yl)boronic acid, 2-oxo-2,3-dihydrobenzo[d]oxazol-6-ylboronic acid, (2-Oxo-2,3-dihydro-1,3-benzoxazol-6-yl)boronic acid, Boronic acid, B-(2,3-dihydro-2-oxo-6-benzoxazolyl)-, C7H6BNO4, 2-OXO-3H-1,3-BENZOXAZOL-6-YLBORONIC ACID,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.039g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	178.938g/mol
Monoisotopic Mass	179.039g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number