AG003MF5

22424-58-4 | 4-(Benzyloxy)-2-methyl-1-nitrobenzene

AG003MF5

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CAS Number	22424-58-4
Catalog Number	AG003MF5(AGN-PC-0JNUB0)
Chemical Name	4-(Benzyloxy)-2-methyl-1-nitrobenzene
IUPAC Name	2-methyl-1-nitro-4-phenylmethoxybenzene
InChI	InChI=1S/C14H13NO3/c1-11-9-13(7-8-14(11)15(16)17)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChI Key	PBAXHOUGHZKSRP-UHFFFAOYSA-N
MDL Number	MFCD00024269
Molecular Formula	C14H13NO3
Molecular Weight	243.2579
NSC Number	86149
SMILES	O=[N+](C1=CC=C(OCC2=CC=CC=C2)C=C1C)[O-]
Synonyms	5-Benzyloxy-2-nitrotoluene, 22424-58-4, 4-(Benzyloxy)-2-methyl-1-nitrobenzene, 5-Benzoxy-2-nitrotoluene, PBAXHOUGHZKSRP-UHFFFAOYSA-N, MFCD00024269, 2-methyl-1-nitro-4-phenylmethoxybenzene, Benzene,2-methyl-1-nitro-4-(phenylmethoxy)-, Benzene, 2-methyl-1-nitro-4-(phenylmethoxy)-, NSC86149, AC1Q2ELF, Maybridge1_006779, ACMC-1CN6U, AC1L5XE5, AC1Q20EQ, Oprea1_658505, SCHEMBL1061802, CTK4E9461, Ether, benzyl 4-nitro-m-tolyl-, HMS560M03, ZINC83383, 4-benzyloxy-2-methyl nitrobenzene, ACT09294, 4-benzyloxy-2-methyl-1-nitrobenzene, ANW-24866, CCG-40818, NSC-86149, BENZYL 4-NITRO-M-TOLYL ETHER, (3-Methyl-4-nitrophenyl)benzyl ether, AKOS015839415, MCULE-2523871101, VZ30064, AJ-10639, ZB002965, 4-(Benzyloxy)-2-methyl-1-nitrobenzene #, 2-methyl-1-nitro-4-(phenylmethoxy)benzene, DB-045909, TR-031238, FT-0620045, ST50407879, V4502, B-7995, SR-01000630933, Q-102046, SR-01000630933-1, SR-01000630933-2, I14-58106, 5-(Benzyloxy)-2-nitrotoluene, C14H13NO3, EINECS 244-988-3, AR-1G7315, C14-H13-N-O3, CID257720, 1-((3-methyl-4-nitrophenoxy)methyl)benzene, 5-Benzyloxy-2-nitrotoluene, 95% - 1G 1g, 25476-46-4,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.09g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	243.262g/mol
Monoisotopic Mass	243.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H315-H318-H335-H410
Packing Group	Ⅲ
Precautionary statements	P261-P273-P280-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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