1-Chloro-2-fluoro-4-methoxy-5-nitrobenzene

CAT: 0926-PTB28066Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-PTB28066Size:10 g

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CAS Number

1089280-66-9

MDL Number

MFCD11847613

Smiles

COC1=CC (=C (C=C1[N+] (=O) [O-]) Cl) F

Molecular Formula

C7H5ClFNO3

Molecular Weight

205.57 g/mol

Controlled

Chemical Information

1-Chloro-2-fluoro-4-methoxy-5-nitrobenzene

CAS Number	1089280-66-9
PubChem CID	53403289
IUPAC Name	1-chloro-2-fluoro-4-methoxy-5-nitrobenzene
Molecular Formula	C7H5ClFNO3
Molecular Weight	205.57
XLogP	2.5
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	199

SMILES

COC1=CC(=C(C=C1[N+](=O)[O-])Cl)F

InChI

InChI=1S/C7H5ClFNO3/c1-13-7-3-5(9)4(8)2-6(7)10(11)12/h2-3H,1H3

InChIKey

WGZSTQPRYUSALF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1089280-66-9

CID: 53403289

Formula: C7H5ClFNO3

MW: 205.57

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	205.57
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	204.9941989
Monoisotopic Mass	204.9941989
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	199
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
KAC84562-01	5-Chloro-1-fluoro-2-methoxy-3-nitrobenzene
XDA65537-01	1-Chloro-5-methoxy-4-methyl-2-nitrobenzene
IKC27848-01	1-chloro-2-iodo-5-methoxy-4-nitrobenzene
SDC85043-01	1- (Bromomethyl) -4-fluoro-5-methoxy-2-nitrobenzene
NCA76281-01	1-Fluoro-2-methoxy-4-methyl-5-nitrobenzene
FNA79402	1-Bromo-2-fluoro-5-methoxy-4-nitrobenzene
DXC61158-01	5-Chloro-2-fluoro-4-nitrobenzene-1-sulfonamide
LEA01008	1-bromo-2-chloro-4-fluoro-5-nitrobenzene
HAA08760	1-Fluoro-3-methoxy-5-nitrobenzene
HPA33264-01	2-Fluoro-4-methoxy-5-nitrobenzene-1-sulfonyl chloride

Catalog	Name
409515-01	1-Chloro-5-fluoro-2-methoxy-4-nitrobenzene
PC104079-01	1-chloro-5-fluoro-4-methoxy-2-nitrobenzene
PC104081-01	1-Chloro-4-fluoro-2-methoxy-5-nitrobenzene
PC50377-01	1-Chloro-2-fluoro-4-methoxy-5-nitrobenzene
PC1007040-01	1-Chloro-3-fluoro-5-methoxy-2-nitrobenzene
PC1001606-01	2-Chloro-1-fluoro-3-methoxy-4-nitrobenzene
PC1001268-01	2-Chloro-3-fluoro-1-methoxy-4-nitrobenzene
409792-01	1-Fluoro-4-methoxy-2-nitrobenzene
RG-E141556-01	4-Fluoro-2-methoxy-1-nitrobenzene
sc-482744	1-Bromo-5-fluoro-4-methoxy-2-nitrobenzene