3-[(4-chlorophenyl)carbamoyl]propanoic acid

3-[(4-chlorophenyl)carbamoyl]propanoic acid

CAS: 17722-52-0

Formula: C10H10ClNO3

SMILES: OC(=O)CCC(=O)NC1=CC=C(Cl)C=C1

IUPAC: 3-[(4-chlorophenyl)carbamoyl]propanoic acid

InChI: InChI=1S/C10H10ClNO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)

Composition: C (52.76%), H (4.43%), Cl (15.57%), N (6.15%), O (21.08%)

Molar Mass: 227.64

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	227.0349209
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	UPSNSRKMOHOEEO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.62
Topological Polar Surface Area	66.4
Polarizability	21.36
Ring Count	1
Rotatable Bond Count	4

Suppliers

OTAVA LTD.

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<10 Days	17722-52-0		$105.57-$128.05$105.57$119.26$128.05

MFCD00029843

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	17722-52-0		$7.25-$156.29$7.25$9.32$35.19$156.29

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<6 Days	17722-52-0		$11.50-$62.10$11.50$20.70$62.10

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	17722-52-0		$15.13-$80.70$15.13$26.48$80.70

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<16 Days	17722-52-0		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00