AG002IJ0

20651-75-6 | Benzene, 1-butyl-4-nitro-

AG002IJ0

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CAS Number	20651-75-6
Catalog Number	AG002IJ0(AGN-PC-0JLXK0)
Chemical Name	Benzene, 1-butyl-4-nitro-
EC Number	243-941-4
IUPAC Name	1-butyl-4-nitrobenzene
InChI	InChI=1S/C10H13NO2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3
InChI Key	JZRBCNLSIDKBMG-UHFFFAOYSA-N
MDL Number	MFCD00130030
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
SMILES	O=[N+](C1=CC=C(CCCC)C=C1)[O-]
Synonyms	1-Butyl-4-nitrobenzene, 20651-75-6, Benzene, 1-butyl-4-nitro-, p-Nitrobutylbenzene, EINECS 243-941-4, ACMC-1CNLM, 1-Nitro-4-butylbenzene, AC1Q1ZAZ, 1-butyl-4-nitro-benzene, AC1L3G5C, SCHEMBL4737258, CTK4E4779, DTXSID00174694, JZRBCNLSIDKBMG-UHFFFAOYSA-N, KS-000014NN, ZINC5647513, ANW-24168, MFCD00130030, AKOS016846136, ACM20651756, AJ-54466, AX8224924, TC-112913, AM20030316, B3092, FT-0723691, I01-21475, CID88632, AR-1C2161, C10-H13-N-O2, 21170-27-4,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.095g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	179.219g/mol
Monoisotopic Mass	179.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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

Lot Number