AG00CBT1

22246-45-3 | 7-NITRO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE

AG00CBT1

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CAS Number	22246-45-3
Catalog Number	AG00CBT1(AGN-PC-0JQCGH)
Chemical Name	7-NITRO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE
IUPAC Name	7-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one
InChI	InChI=1S/C10H10N2O3/c13-10-3-1-2-7-6-8(12(14)15)4-5-9(7)11-10/h4-6H,1-3H2,(H,11,13)
InChI Key	ASVGSXZZZWXPRE-UHFFFAOYSA-N
MDL Number	MFCD00985061
Molecular Formula	C10H10N2O3
Molecular Weight	206.1980
NSC Number	611258
SMILES	O=C1CCCC2=CC([N+]([O-])=O)=CC=C2N1
Synonyms	22246-45-3, 7-NITRO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE, 7-Nitro-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one, 7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one, NSC611258, AC1L77VA, SCHEMBL2061739, CTK8H6615, ASVGSXZZZWXPRE-UHFFFAOYSA-N, 2H-1-BENZAZEPIN-2-ONE, 1,3,4,5-TETRAHYDRO-7-NITRO-, ZINC4747674, MFCD00985061, AKOS022176688, NSC-611258, PB26044, AJ-52148, AS-50418, CS-0004302, 46N453, Q-1638, 7-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one, 7-nitro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, Z2513337433, CID356175,

Complexity	274
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.069g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.201g/mol
Monoisotopic Mass	206.069g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	74.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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