4-Chloro-3-methoxybenzaldehyde

CAT: 0127-OR313086-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR313086-01Size:5 g

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CAS Number

13726-16-4

MDL Number

MFCD07787490

Purity

98%

Smiles

COc1cc(C=O)ccc1Cl

Chemical Information

4-Chloro-3-methoxybenzaldehyde

4-Chloro-3-methoxybenzaldehyde is a carbonyl compound.

CAS Number	13726-16-4
PubChem CID	12909725
IUPAC Name	4-chloro-3-methoxybenzaldehyde
Molecular Formula	C8H7ClO2
Molecular Weight	170.59
XLogP	2.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	138

SMILES

COC1=C(C=CC(=C1)C=O)Cl

InChI

InChI=1S/C8H7ClO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-5H,1H3

InChIKey

BZCOHGUBYSDFET-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13726-16-4

CID: 12909725

Formula: C8H7ClO2

MW: 170.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.59
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	170.0134572
Monoisotopic Mass	170.0134572
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138
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
OR400990-01	3-Chloro-4-methoxybenzaldehyde
PC1014083-01	3-Chloro-4-fluoro-2-methoxybenzaldehyde
OR1090163-01	2- (Benzyloxy) -3-chloro-4-methoxybenzaldehyde
OR1088475-01	3-Chloro-5-iodo-4-methoxybenzaldehyde
PC1025665-01	4-Chloro-3-fluoro-5-methoxybenzaldehyde
OR1095416	3-Bromo-5-chloro-4-methoxybenzaldehyde
PC302536-01	3-Chloro-5-fluoro-4-methoxybenzaldehyde
OR400975-01	4-Chloro-2-methoxybenzaldehyde
OR450043-01	2-Chloro-4-methoxybenzaldehyde
OR1040198-01	3-Chloro-5-hydroxy-4-methoxybenzaldehyde

Catalog	Name
sc-471930	4-Chloro-3-methoxybenzaldehyde
FC70306-01	3-Chloro-4-methoxybenzaldehyde
MBA68767-01	4- (Benzyloxy) -3-chloro-5-methoxybenzaldehyde
268966-01	2-Chloro-3-hydroxy-4-methoxybenzaldehyde
sc-346654A	3-chloro-4-isopropoxy-5-methoxybenzaldehyde
sc-312779	3-Chloro-4-ethoxy-5-methoxybenzaldehyde
DCA58186	4-Chloro-2-methoxybenzaldehyde
sc-274520	2-chloro-4-methoxybenzaldehyde
HDA66820-01	2-Chloro-4-hydroxy-3-methoxybenzaldehyde
sc-346629	3-chloro-4- (difluoromethoxy) -5-methoxybenzaldehyde