AG005YVL

957062-70-3 | 4-(trans-4-Hydroxycyclohexylcarbamoyl)phenylboronic acid

AG005YVL

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CAS Number	957062-70-3
Catalog Number	AG005YVL(AGN-PC-0WA9OM)
Chemical Name	4-(trans-4-Hydroxycyclohexylcarbamoyl)phenylboronic acid
IUPAC Name	[4-[(4-hydroxycyclohexyl)carbamoyl]phenyl]boronic acid
InChI	InChI=1S/C13H18BNO4/c16-12-7-5-11(6-8-12)15-13(17)9-1-3-10(4-2-9)14(18)19/h1-4,11-12,16,18-19H,5-8H2,(H,15,17)
InChI Key	YSXTWFABWWVVAX-UHFFFAOYSA-N
MDL Number	MFCD09878333
Molecular Formula	C13H18BNO4
Molecular Weight	263.0973
SMILES	O=C(C1=CC=C(B(O)O)C=C1)N[C@H]2CC[C@H](O)CC2
Synonyms	957062-70-3, 4-(TRANS-4-HYDROXYCYCLOHEXYLCARBAMOYL)PHENYLBORONIC ACID, (4-(((1r,4r)-4-Hydroxycyclohexyl)carbamoyl)phenyl)boronic acid, ACMC-209s2d, CTK5H8039, DTXSID30674314, YSXTWFABWWVVAX-HAQNSBGRSA-N, ANW-40643, AKOS015855280, ZINC169794628, ZINC242728097, RTR-029939, trans-4-Hydroxycyclohexyl 4-boronobenzamide, V9729, B-4550, I04-2929, {4-[(4-Hydroxycyclohexyl)carbamoyl]phenyl}boronic acid, (4-((trans-4-Hydroxycyclohexyl)carbamoyl)phenyl)boronic acid, 4-(trans-4-Hydroxycyclohexylcarbamoyl)phenylboronic acid, AldrichCPR, C13H18BNO4, trans-4-Hydroxycyclohexyl4-boronobenzamide, (4-(((1r,4r)-4-Hydroxycyclohexyl)carbamoyl)phenyl)boronicacid,

Complexity	297
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.133g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	263.1g/mol
Monoisotopic Mass	263.133g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	89.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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