Alpha,3-Dichlorobenzaldoxime

CAT: 0926-FD152807-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-FD152807-01Size:1 g

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CAS Number

29203-59-6

Molecular Formula

C7H5Cl2NO

Molecular Weight

190.03 g/mol

Controlled

Chemical Information

alpha,3-Dichlorobenzaldoxime

CAS Number	29203-59-6
PubChem CID	10943262
IUPAC Name	(1Z)-3-chloro-N-hydroxybenzenecarboximidoyl chloride
Molecular Formula	C7H5Cl2NO
Molecular Weight	190.02
XLogP	3.3
Topological Polar Surface Area	32.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	161

SMILES

C1=CC(=CC(=C1)Cl)/C(=N/O)/Cl

InChI

InChI=1S/C7H5Cl2NO/c8-6-3-1-2-5(4-6)7(9)10-11/h1-4,11H/b10-7-

InChIKey

WQWDKLMCIBTGKV-YFHOEESVSA-N

Chemical Structure

2D Structure

CAS: 29203-59-6

CID: 10943262

Formula: C7H5Cl2NO

MW: 190.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.02
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	188.9748192
Monoisotopic Mass	188.9748192
Topological Polar Surface Area	32.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	161
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR931326	Alpha,2-dichlorobenzaldoxime
OR14196	Alpha,4-Dichlorobenzaldoxime
sc-276450	3,4-Dichlorobenzaldoxime
OR0337-01	2,3-Dichlorobenzaldoxime
sc-397137	2,6-Dichlorobenzaldoxime
OR29744-01	2,4-Dichlorobenzaldoxime
OR1079663	2,6-Dichlorobenzaldoxime cyclobutylcarbamate
MBS623136-01	Protocadherin alpha 3 (PCDH-alpha-3, PCDHA3)
MBS6060964-01	alpha,alpha-Diphenyl-3-pyrrolidineacetonitrile
BUP16967	3-Isopropenyl-alpha, alpha-dimethylbenzyl