2-[ (3-Bromophenyl) formamido]-3-hydroxypropanoic acid

CAT: 0926-WFC99937-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-WFC99937-01Size:250 mg

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CAS Number

1396999-37-3

MDL Number

MFCD09943001

Smiles

C1=CC (=CC (=C1) Br) C (=O) NC (CO) C (=O) O

Molecular Formula

C10H10BrNO4

Molecular Weight

288.09 g/mol

Controlled

Chemical Information

2-((3-Bromophenyl)formamido)-3-hydroxypropanoic acid

CAS Number	1396999-37-3
PubChem CID	24703746
IUPAC Name	2-[(3-bromobenzoyl)amino]-3-hydroxypropanoic acid
Molecular Formula	C10H10BrNO4
Molecular Weight	288.09
XLogP	0.8
Topological Polar Surface Area	86.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	272

SMILES

C1=CC(=CC(=C1)Br)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C10H10BrNO4/c11-7-3-1-2-6(4-7)9(14)12-8(5-13)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)

InChIKey

GZDCHOSSDQRVNM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1396999-37-3

CID: 24703746

Formula: C10H10BrNO4

MW: 288.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.09
XLogP3	0.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	286.97932
Monoisotopic Mass	286.97932
Topological Polar Surface Area	86.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	272
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
CUB88826-01	(2S) -2-[ (4-Fluorophenyl) formamido]-3-hydroxypropanoic acid
HCA72860-01	2-[ (3-bromophenyl) formamido]acetic acid
XFC00738-01	2-[ (2-Bromophenyl) formamido]-3-methylbutanoic acid
MMC37820-01	(2S) -2-[ (6-Fluoropyridin-2-yl) formamido]-3-hydroxypropanoic acid
KMA45707-01	3-[ (4-Bromophenyl) formamido]propanoic acid
GDA56883-01	2-[ (2-Bromophenyl) formamido]acetic acid
IHA55936-01	2-[ (4-Bromophenyl) formamido]propanoic acid
TAA81575-01	2-[ (4-Bromophenyl) formamido]acetic acid
ABA40054-01	3-Cyclohexyl-2-hydroxypropanoic acid
PFA54679-01	3- (3-Chlorophenyl) -2-hydroxypropanoic acid

Catalog	Name
sc-340645A	2-[ (3-bromophenyl) formamido]-3-hydroxypropanoic acid
OR86027-01	3- (3-Bromophenyl) -2-hydroxypropanoic acid
OR1092297-01	3- (2-Bromophenyl) -3-hydroxypropanoic acid
OR1092298-01	3- (4-Bromophenyl) -3-hydroxypropanoic acid
OR85982-01	3- (2-Bromophenyl) -2-hydroxypropanoic acid
OR1090011-01	3- (5- (Benzyloxy) -2-bromophenyl) -3-hydroxypropanoic acid
OR70031-01	3-Hydroxypropanoic acid
OR1047292-01	3-Cyclopropyl-3-hydroxypropanoic acid
HY-113231	3- (3-Hydroxyphenyl) -3-hydroxypropanoic acid
TRC-A726545-100MG	Apixaban 3-Hydroxypropanoic Acid