AG00DKKC

5328-76-7 | 5-bromo-1-nitro-naphthalene

AG00DKKC

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CAS Number	5328-76-7
Catalog Number	AG00DKKC(AGN-PC-0JN9WM)
Chemical Name	5-bromo-1-nitro-naphthalene
IUPAC Name	1-bromo-5-nitronaphthalene
InChI	InChI=1S/C10H6BrNO2/c11-9-5-1-4-8-7(9)3-2-6-10(8)12(13)14/h1-6H
InChI Key	OTYRDQXZRJZHOX-UHFFFAOYSA-N
MDL Number	MFCD00156397
Molecular Formula	C10H6BrNO2
Molecular Weight	252.0641
NSC Number	1993
SMILES	O=[N+](C1=CC=CC2=C(Br)C=CC=C12)[O-]
Synonyms	1-Bromo-5-nitronaphthalene, 5328-76-7, 5-BROMO-1-NITRO-NAPHTHALENE, Naphthalene, 1-bromo-5-nitro-, 5-Bromo-1-nitronaphthalene, OTYRDQXZRJZHOX-UHFFFAOYSA-N, AE-562/33372055, NSC1993, 5-Nitro-1-bromonaphthalene, AC1L57XI, 1-bromo-5-nitro-naphthalene, AC1Q201G, SCHEMBL2963038, CTK4J7457, KS-00000TBX, DTXSID60277372, NSC-1993, ZINC1577118, ZX-AT008004, MFCD00156397, OR3179, SBB101051, AKOS001009824, FCH1317103, MCULE-5560306679, AC-29205, AK197884, AS-18007, SY058523, CS-0041432, V6445, MFCD00156397 (95%), K-9662, SR-01000033144, SR-01000033144-1, Z56833039, InChI=1/C10H6BrNO2/c11-9-5-1-4-8-7(9)3-2-6-10(8)12(13)14/h1-6, C10H6BrNO2, AR-1C2022, CID219988, 577-94-6,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.958g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	252.067g/mol
Monoisotopic Mass	250.958g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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