4-Methoxy-3-nitrophenyl acetate

CAT: 0926-PBA65387-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-PBA65387-01Size:100 mg

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CAS Number

39653-87-7

MDL Number

MFCD18078612

Smiles

CC (=O) OC1=CC (=C (C=C1) OC) [N+] (=O) [O-]

Molecular Formula

C9H9NO5

Molecular Weight

211.17 g/mol

Controlled

Chemical Information

Phenol, 4-methoxy-3-nitro-, 1-acetate

CAS Number	39653-87-7
PubChem CID	15676975
IUPAC Name	(4-methoxy-3-nitrophenyl) acetate
Molecular Formula	C9H9NO5
Molecular Weight	211.17
XLogP	1.6
Topological Polar Surface Area	81.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	249

SMILES

CC(=O)OC1=CC(=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C9H9NO5/c1-6(11)15-7-3-4-9(14-2)8(5-7)10(12)13/h3-5H,1-2H3

InChIKey

XUZGGGXQVSZPDD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39653-87-7

CID: 15676975

Formula: C9H9NO5

MW: 211.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.17
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	211.04807239
Monoisotopic Mass	211.04807239
Topological Polar Surface Area	81.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	249
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
CAA69869	4-formyl-2-methoxy-3-nitrophenyl acetate
RNA94207	4-Methoxy-3-[ (4-nitrophenyl) methoxy]benzaldehyde
YAB91764-01	(3-Methoxy-4-nitrophenyl) hydrazine
FE22926-01	Ethyl (4-nitrophenyl) acetate
BAC92442-01	(4-Methoxy-3-nitrophenyl) methanesulfonyl fluoride
EEA10316-01	2- (3-Methoxy-4-nitrophenyl) acetonitrile
GCA24507-01	2- (4-Methoxy-3-nitrophenyl) acetonitrile
LFB44022-01	1- (3-Methoxy-4-nitrophenyl) -4-piperidinol
KJB73415-01	(3-methoxy-4-nitrophenyl) (methyl) sulfane
BCA45180-01	3-Methoxy-N- (4-nitrophenyl) aniline

Catalog	Name
sc-300987	Methyl 2- (4-methoxy-3-nitrophenyl) acetate
OR1067043-01	4-Formyl-2-methoxy-3-nitrophenyl acetate
sc-353720A	Methyl {[ (4-methoxy-3-nitrophenyl) sulfonyl]amino}acetate
OR1057388-01	Methyl 2- (4-methoxy-2-nitrophenyl) acetate
OR1096276-01	2-methoxy-5-nitrophenyl acetate
sc-206923A	4-Nitrophenyl acetate
OR26452	4-Chloro-3-nitrophenyl acetate
OR1003849-01	Methyl (4-{[ (4-Methoxy-2-nitrophenyl) amino]sulfonyl}phenoxy) acetate
011741	Ethyl (4-Nitrophenyl) acetate
OR956383-01	Methyl (4-nitrophenyl) acetate