3-chloro-5-morpholinobenzoic acid

CAT: 0127-OR1080455-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1080455-01Size:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1095274-32-0

Purity

95%

Smiles

C1 (cc (cc (c1) N1CCOCC1) Cl) C (=O) O

Chemical Information

3-Chloro-5-morpholinobenZoic acid

CAS Number	1095274-32-0
PubChem CID	69176704
IUPAC Name	3-chloro-5-morpholin-4-ylbenzoic acid
Molecular Formula	C11H12ClNO3
Molecular Weight	241.67
XLogP	1.8
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	256

SMILES

C1COCCN1C2=CC(=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C11H12ClNO3/c12-9-5-8(11(14)15)6-10(7-9)13-1-3-16-4-2-13/h5-7H,1-4H2,(H,14,15)

InChIKey

IARIDDPHOVXHAX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1095274-32-0

CID: 69176704

Formula: C11H12ClNO3

MW: 241.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	241.67
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	241.0505709
Monoisotopic Mass	241.0505709
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	256
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
OR470069	4-Chloro-2-morpholinobenzoic acid
OR470071	2-Chloro-4-morpholinobenzoic acid
OR1046853-01	3-Cyano-4-morpholinobenzoic acid
OR1037842	3-Bromo-4-morpholinobenzoic acid
OR1057789-01	2-Methyl-3-morpholinobenzoic acid
PC103190-01	3-Fluoro-4-morpholinobenzoic acid
OR23668	5-[ (2-chloroacetyl) amino]-2-morpholinobenzoic acid
OR1066271	2-Methoxy-4-morpholinobenzoic acid
OR92715-01	4-Bromo-2-morpholinobenzoic acid
PC1014443-01	2,6-Difluoro-4-morpholinobenzoic acid

Catalog	Name
424997-01	3-Chloro-4-morpholinobenzoic acid
sc-261076A	3-Morpholinobenzoic acid
LKB50152-01	4-Methyl-3-morpholinobenzoic acid
232074-01	3-Morpholinobenzoic acid ≥97% (HPLC)
DGA43752-01	2-Amino-5-morpholinobenzoic acid
425662-01	3-Fluoro-4-morpholinobenzoic acid
GTR19252082-01	2-Morpholinobenzoic acid
284279-01	2-Methoxy-4-Morpholinobenzoic Acid
233408-01	4-Morpholinobenzoic acid ≥97% (HPLC)
417840-01	2-Fluoro-4-morpholinobenzoic acid