N-Butylisatoic Anhydride - CAS 16512-56-4

Name: N-Butylisatoic Anhydride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB062140
Product Name:	N-Butylisatoic Anhydride
CAS:	16512-56-4
Synonyms:	1-butyl-3,1-benzoxazine-2,4-dione; 2H-3,1-Benzoxazine-2,4(1H)-dione, 1-butyl-; 1-Butyl-2H-benzo[d][1,3]oxazine-2,4(1H)-dione; 1-butyl-2H-3,1-benzoxazine-2,4(1H)-dione

Technical Data

Computed Properties

IUPAC Name:	1-butyl-3,1-benzoxazine-2,4-dione
Molecular Weight:	219.24
Molecular Formula:	C12H13NO3
Canonical SMILES:	CCCCN1C2=CC=CC=C2C(=O)OC1=O
InChI:	InChI=1S/C12H13NO3/c1-2-3-8-13-10-7-5-4-6-9(10)11(14)16-12(13)15/h4-7H,2-3,8H2,1H3
InChI Key:	GNXNHIFZVKBXAK-UHFFFAOYSA-N
Solubility:	Dichloromethane
Appearance:	Off-white Solid
Storage:	20°C

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Complexity:	290
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.08954328
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.08954328
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5